Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5743797 | 1.00 | IDO1 (0.44) | IDO1TDO2C1SPARP1TRPA1 | |
| SCHEMBL5743801 | 1.00 | IDO1 (0.44) | IDO1TDO2C1SPARP1TRPA1 | |
| Hydrochloric Acid SCHEMBL5741831 | 0.98 | IDO1 (0.47) | IDO1TDO2C1SPARP1TRPA1 | |
| Hydrochloric Acid SCHEMBL5741828 | 0.98 | IDO1 (0.47) | IDO1TDO2C1SPARP1TRPA1 | |
| SCHEMBL6744566 | 0.79 | IDO1 (0.43) | IDO1TDO2TRPA1MBTD1L3MBTL3 | |
| SCHEMBL5772657 | 0.76 | IDO1 (0.52) | IDO1TDO2C1SPARP1MAOA | |
| SCHEMBL957610 | 0.76 | IDO1 (0.41) | IDO1TDO2PARP1TRPA1MAOA | |
| SCHEMBL27655390 | 0.76 | IDO1 (0.41) | IDO1TDO2TRPA1MBTD1L3MBTL3 | |
| SCHEMBL198178 | 0.76 | TSHR (0.57) | IDO1TDO2TRPA1ALDH1A1MAPK1 | |
| SCHEMBL27639689 | 0.76 | TSHR (0.57) | IDO1TDO2TRPA1ALDH1A1MAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | claimed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | claimed |
| CN-105646405-B | The preparation method of substituted adjacent amido benzonitrile compound, preparation method and Lapatinib | 凯莱英医药集团（天津）股份有限公司 | 2018-12-11 | — | — | CN | disclosed |
| US-20170145034-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-05-25 | — | — | US | disclosed |
| US-9605005-B2 | Alkynyl alcohols and methods of use | GENENTECH, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| US-20160200739-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (CA) | 2016-07-14 | — | — | US | disclosed |
| EP-3036230-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |
| US-20160096850-A9 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2016-04-07 | — | — | US | disclosed |
| US-20150065482-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2015-03-05 | — | — | US | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |
| US-6307068-B1 | TREATING OR IN PREVENTING CANCER. | ADIR ET COMPAGNIE (FR) | 2001-10-23 | — | — | US | disclosed |
| CN-1305482-A | Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same | SHANGHAI INST OF MATERIAL MEDI (CN) | 2001-07-25 | — | — | CN | disclosed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | disclosed |
| EP-1086107-A1 | ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999065914-A1 | ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) | 1999-12-23 | — | — | WO | disclosed |
| EP-0318935-B1 | Substituted alpha-amino acids having pharmaceutical activity | WARNER LAMBERT CO (US) | 1995-02-01 | — | — | EP | disclosed |
| US-5175153-A | Antiischemic agents or antiepileptic agents | WARNER-LAMBERT COMPANY (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0318935-A2 | Substituted alpha-amino acids having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1989-06-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150065482-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | NFKB2, NFKB1, RELA | IDO1 2837/4885TDO2 4481/4885C1S 442/4885 |
| US-20160096850-A9 | ALKYNYL ALCOHOLS AND METHODS OF USE | NFKB2, NFKB1, RELA | IDO1 2837/4885TDO2 4481/4885C1S 442/4885 |
| US-20160200739-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | NFKB2, NFKB1, RELA | IDO1 2837/4885TDO2 4481/4885C1S 442/4885 |
| US-20170145034-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | NFKB2, NFKB1, RELA | IDO1 2837/4885TDO2 4481/4885C1S 442/4885 |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | CTSK, CTSH, UACA | IDO1 1947/4885TDO2 4481/4885C1S 3404/4885 |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | CTSK, CTSH, CTSS | IDO1 2012/4885TDO2 4574/4885C1S 1640/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.