Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9780834 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL14198757 | 0.86 | GAA (0.51) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL1923014 | 0.86 | GAA (0.51) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL21400207 | 0.86 | GAA (0.51) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL26379104 | 0.85 | CYP1A2 (0.42) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL20272550 | 0.85 | CYP1A2 (0.42) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL6468973 | 0.85 | TSHR (0.50) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL6468980 | 0.85 | TSHR (0.50) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL11458388 | 0.84 | IDO1 (0.49) | CYP3A4CYP1A2CYP2C19HDAC8EPHX1 | |
| SCHEMBL2482374 | 0.83 | PPARA (0.48) | CYP3A4CYP1A2CYP2D6ALOX15CYP2C19 |
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-110621154-A | Methods and compositions for herbicide tolerance of plants | 孟山都技术公司 | 2019-12-27 | — | — | CN | disclosed |
| US-7105509-B2 | Benzodiazepine derivatives as APP modulators | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| US-20050119252-A1 | Ligands of melanocortin receptors and compositions and methods related thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-06-02 | — | — | US | disclosed |
| WO-2005042516-A2 | LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-05-12 | — | — | WO | disclosed |
| US-20040082572-A1 | Benzodiazepine derivatives as app modulators | MERCK SHARPE & DOHME LIMITED (GB) | 2004-04-29 | — | — | US | disclosed |
| EP-1294702-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001090084-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |
| EP-0257378-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-03 | — | — | EP | disclosed |
| US-5010060-A | Method of treating herpes simplex viral infection employing pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-04-23 | — | — | US | disclosed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0257378-A1 | Pyrimidine derivatives, their preparation and medicaments containing these derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-02 | — | — | 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 (2 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-20040082572-A1 | Benzodiazepine derivatives as app modulators | BACE1, PSEN1, APP | CYP3A4 212/4885CYP1A2 221/4885CYP2D6 518/4885 |
| US-20050119252-A1 | Ligands of melanocortin receptors and compositions and methods related thereto | MC3R, MC1R, MC4R | CYP3A4 601/4885CYP1A2 1024/4885CYP2D6 675/4885 |
“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.