Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2310141 | 0.72 | DRD3 (0.49) | DRD3KCNH2HRH1 | |
| SCHEMBL10126049 | 0.65 | ESR1 (0.44) | ESR1ESR2KDM4ENPC1ALDH1A1 | |
| SCHEMBL13621036 | 0.64 | SMN1; SMN2 (0.47) | ESR1ESR2KDM4ENPC1ALDH1A1 | |
| SCHEMBL26827234 | 0.63 | HSD17B10 (0.50) | F2RL3KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL16487535 | 0.63 | SMN1; SMN2 (0.42) | ADORA2BKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL20757447 | 0.61 | ADORA2B (0.32) | KCNH2ADORA2BMEN1KMT2A | |
| SCHEMBL10077232 | 0.61 | MEN1 (0.40) | KCNH2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12440017 | 0.60 | LMNA (0.35) | DRD3ALDH1A1 | |
| SCHEMBL12072250 | 0.59 | S1PR1 (0.39) | ADORA2BKDM4EALDH1A1MAPT | |
| SCHEMBL3523330 | 0.58 | NOTUM (0.50) | KDM4EALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1751163-B1 | BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF | GLAXO GROUP LTD (GB) | 2011-08-10 | — | — | EP | disclosed |