Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3104369 | 0.89 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL9235250 | 0.80 | CYP3A4 (0.49) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL424482 | 0.79 | IDO1 (0.39) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL31135862 | 0.79 | CES2 (0.46) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL30438763 | 0.79 | IDO1 (0.39) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL10905501 | 0.79 | CES2 (0.46) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL1783029 | 0.77 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL162277 | 0.77 | RAB9A (0.40) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL29648862 | 0.77 | RAB9A (0.40) | CYP3A4TRPA1TDP1MAPK1ALDH1A1 | |
| SCHEMBL29648920 | 0.77 | KDM1A (0.39) | CYP3A4TRPA1TDP1ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776869-B2 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. (US) | 2010-08-17 | — | — | US | disclosed |