Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | PTGIR | P43119 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL730472 | 0.85 | PTGIR (0.46) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL6979331 | 0.85 | PTGIR (0.41) | HTR1APTGIRPOLBKLKB1TP53 | |
| SCHEMBL13646367 | 0.79 | CA2 (0.53) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL1044755 | 0.79 | CA2 (0.53) | CYP2C9 | |
| SCHEMBL1117923 | 0.79 | CA2 (0.53) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL6980879 | 0.79 | CA2 (0.53) | CYP2C9 | |
| SCHEMBL10600802 | 0.78 | CYP2D6 (0.49) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL17824144 | 0.78 | CYP2D6 (0.49) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL17823617 | 0.78 | CYP2D6 (0.49) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL3207601 | 0.74 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140925-B1 | (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES | WYETH CORP (US) | 2003-04-23 | — | — | EP | disclosed |
| US-6313114-B1 | ANTIDEPRESSANTS | AMERICAN HOME PRODUCTS CORP | 2001-11-06 | — | — | US | disclosed |