Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.49 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450858 | 1.00 | CYP19A1 (0.49) | CYP19A1HTR1DHTR1BHTR1AMAPT | |
| SCHEMBL23525789 | 0.78 | PTGER4 (0.46) | CYP19A1 | |
| SCHEMBL23525788 | 0.78 | PTGER4 (0.46) | CYP19A1 | |
| SCHEMBL23363794 | 0.76 | CYP19A1 (0.43) | CYP19A1MAPTKDM4EGAATSHR | |
| SCHEMBL23363792 | 0.76 | CYP19A1 (0.43) | CYP19A1MAPTKDM4EGAATSHR | |
| SCHEMBL3813395 | 0.75 | SLC6A4 (0.56) | CYP19A1MAPTKDM4EGAATSHR | |
| SCHEMBL7448424 | 0.75 | JUN (0.50) | CYP19A1KDM4EGAAALDH1A1NFE2L2 | |
| SCHEMBL7448421 | 0.75 | JUN (0.50) | CYP19A1KDM4EGAAALDH1A1NFE2L2 | |
| SCHEMBL22166064 | 0.73 | KDM4E (0.53) | CYP19A1MAPTKDM4EGAATSHR | |
| SCHEMBL14609038 | 0.73 | CYP19A1 (0.47) | CYP19A1MAPTKDM4EGAATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5801170-A | Heterocyclic biphenylylamides useful as 5HT1D antagonists | SMITHKLINE BEECHAM PLC (GB) | 1998-09-01 | — | — | US | disclosed |
| EP-0733048-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015954-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-15 | — | — | WO | disclosed |