Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12903356 | 0.90 | TP53 (0.31) | TP53MAPTSMN1; SMN2 | |
| SCHEMBL15197388 | 0.90 | CYP2A6 (0.32) | CYP1A2CYP2A6CYP2C19ALDH1A1GAA | |
| SCHEMBL74544 | 0.88 | TSHR (0.38) | CYP1A2CYP2A6CYP2C19ALDH1A1TSHR | |
| SCHEMBL29556501 | 0.88 | TSHR (0.38) | CYP1A2CYP2A6CYP2C19ALDH1A1TSHR | |
| SCHEMBL15852814 | 0.86 | NPSR1 (0.35) | CYP1A2CYP2A6HSD17B1HSD17B2TP53 | |
| SCHEMBL20920579 | 0.86 | MAOB (0.33) | CYP1A2CYP2A6TP53MAPTSMN1; SMN2 | |
| SCHEMBL15197383 | 0.86 | CYP1A2 (0.37) | CYP1A2CYP2A6ALDH1A1TSHRGAA | |
| SCHEMBL13480247 | 0.86 | TSHR (0.42) | CYP1A2CYP2A6CYP2C19ALDH1A1TSHR | |
| SCHEMBL17933061 | 0.85 | GAA (0.35) | CYP1A2CYP2A6CYP2C19ALDH1A1TSHR | |
| SCHEMBL24010998 | 0.84 | CYP2C19 (0.39) | CYP1A2CYP2C19ALDH1A1TSHRKDM1A |
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-8647754-B2 | Aromatic diamine derivative and organic electroluminescent device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2014-02-11 | — | — | US | disclosed |