Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TYMP | P19971 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16613359 | 0.78 | ADORA2A (0.56) | RORCRORBCYP1A2CYP2A6ADORA2A | |
| SCHEMBL16613449 | 0.78 | ALDH1A1 (0.52) | ADORA2AALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL29572574 | 0.76 | ALDH1A1 (0.54) | CYP1A2CYP2A6ADORA2AALDH1A1BCHE | |
| SCHEMBL15860268 | 0.76 | ALDH1A1 (0.54) | CYP1A2CYP2A6ADORA2AALDH1A1BCHE | |
| SCHEMBL16613467 | 0.75 | ALDH1A1 (0.49) | CYP1A2ADORA2AALDH1A1MAPTHPGD | |
| SCHEMBL17464083 | 0.75 | DHODH (0.44) | RORBCYP1A2ADORA2AALDH1A1MAPT | |
| SCHEMBL17305871 | 0.74 | ADK (0.41) | CYP1A2CYP2A6ALDH1A1BCHEMAPT | |
| SCHEMBL18132493 | 0.73 | MAPT (0.45) | CYP1A2CYP2A6ALDH1A1BCHEMAPT | |
| SCHEMBL16613741 | 0.73 | ALDH1A1 (0.38) | CYP1A2CYP2A6ALDH1A1BCHEMAPT | |
| SCHEMBL16613532 | 0.72 | VCP (0.36) | RORCRORBCYP1A2ADORA2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015047058-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |