Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 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 | |
|---|---|---|---|---|
| SCHEMBL20691469 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2A6CYP19A1NQO2CHRM5 | |
| SCHEMBL4672669 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2A6CYP19A1NQO2CHRM5 | |
| SCHEMBL4672666 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2A6CYP19A1NQO2CHRM5 | |
| SCHEMBL3971293 | 0.82 | GRIN2D (0.58) | CYP1A2CYP2A6RELAPTGS2MAOA | |
| SCHEMBL3657928 | 0.82 | GRIN2D (0.58) | CYP1A2CYP2A6RELAPTGS2MAOA | |
| SCHEMBL31499212 | 0.81 | KDM4E (0.61) | CYP1A2CYP2A6CYP19A1NQO2CHRM5 | |
| SCHEMBL31182402 | 0.79 | CHRM5 (0.72) | CYP1A2CYP19A1NQO2CHRM5RELA | |
| SCHEMBL14950238 | 0.79 | CHRM5 (0.72) | CYP1A2CYP19A1NQO2CHRM5RELA | |
| SCHEMBL27885399 | 0.79 | CHRM5 (0.72) | CYP1A2CYP19A1NQO2CHRM5RELA | |
| SCHEMBL23934771 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6CYP19A1NQO2CHRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613942-B1 | Nonpeptide; 4-hydroxy benzoic acid hydrazides | NOVO NORDISK A/S (DK) | 2003-09-02 | — | — | US | disclosed |
| EP-0994848-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999001423-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 1999-01-14 | — | — | WO | disclosed |