Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.49 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8589224 | 0.85 | CYP1A2 (0.45) | NOS3NOS1KDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL6926164 | 0.82 | GAA (0.42) | NOS3NOS1KDM4EALDH1A1GAA | |
| SCHEMBL8139321 | 0.81 | KDM4E (0.53) | NOS3NOS1KDM4EALDH1A1GAA | |
| SCHEMBL4632018 | 0.80 | KDM4E (0.51) | NOS3NOS1PHLPP2KDM4EALDH1A1 | |
| SCHEMBL5880249 | 0.79 | NOS3 (0.48) | NOS3NOS1KDM4EALDH1A1MAPT | |
| SCHEMBL29875923 | 0.79 | GAA (0.60) | NOS3NOS1KDM4EALDH1A1GAA | |
| SCHEMBL4632811 | 0.79 | UTS2R (0.49) | KDM4EALDH1A1GAAMAPTHTR7 | |
| SCHEMBL6541970 | 0.79 | HTR7 (0.44) | NOS3NOS1PHLPP2KDM4EALDH1A1 | |
| SCHEMBL5275674 | 0.79 | GAA (0.60) | NOS3NOS1KDM4EALDH1A1GAA | |
| SCHEMBL1220219 | 0.79 | HTR7 (0.53) | NOS3NOS1KDM4EALDH1A1GAA |
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 |