Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL6153420 | 0.84 | CYP2A6 (0.57) | ALDH1A1TDP1MAPK1CYP2A6MAOA | |
| Bromobenzene SCHEMBL3296179 | 0.82 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1CYP2A6MAOA | |
| Bromobenzene SCHEMBL27128870 | 0.82 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1CYP2A6MAOA | |
| Bromobenzene SCHEMBL27257911 | 0.81 | — | — | |
| Bromobenzene SCHEMBL537562 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1CYP2A6MAOA | |
| Bromobenzene SCHEMBL1331681 | 0.80 | — | — | |
| Bromobenzene SCHEMBL1331176 | 0.80 | — | — | |
| Bromobenzene SCHEMBL20537325 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1CYP2A6MAOA | |
| Bromobenzene SCHEMBL1542 | 0.80 | — | — | |
| Bromobenzene SCHEMBL2158200 | 0.80 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111171016-B | Pharmaceutical use of indole alkaloids and derivatives thereof | 北京大学 | 2021-03-23 | — | — | CN | disclosed |
| CN-111171016-A | Pharmaceutical use of indole alkaloids and derivatives thereof | 北京大学 | 2020-05-19 | — | — | CN | disclosed |
| CN-110218191-A | A kind of compound and preparation method thereof and its application as c-Met inhibitor | 山东大学 | 2019-09-10 | — | — | CN | disclosed |
| CN-106543077-B | N, N '-disubstituted arylthiourea derivative and its synthetic method and application | 西安交通大学 | 2019-08-23 | — | — | CN | disclosed |
| CN-106543077-A | N, N ' disubstituted arylthiourea derivative and its synthetic method and application | 西安交通大学 | 2017-03-29 | — | — | CN | disclosed |
| CN-103059014-B | Novel heteroary aminoderivative | BEIJING HANMEI PHARMACEUTICAL CO., LTD. (CN) | 2016-05-18 | — | — | CN | disclosed |
| CN-103923078-A | 3,4-disubstituted(1H-pyrazole[3,4-b]pyridine) compound and use thereof | UNIV EAST CHINA SCIENCE & TECH | 2014-07-16 | — | — | CN | disclosed |
| CN-103059014-A | Novel heteroaryl amino derivative | BEIJING HANMEI PHARMACEUTICAL CO LTD | 2013-04-24 | — | — | CN | disclosed |
| US-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2005-03-24 | — | — | US | disclosed |
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | 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 (1 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-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | PTPRS, PTPRJ, PTPRCAP | ALDH1A1 961/4885TDP1 219/4885MAPK1 2027/4885 |
“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.