Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP27B1 | O15528 | 2/20 | 0.47 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571604 | 0.78 | SMN1; SMN2 (0.84) | SMN1; SMN2ALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL9029441 | 0.76 | TBXAS1 (0.54) | ALDH1A1KDM4E | |
| SCHEMBL9715141 | 0.76 | SMN1; SMN2 (0.77) | SMN1; SMN2ALDH1A1NPC1MAPTTSHR | |
| SCHEMBL24181493 | 0.73 | CYP1A2 (0.54) | SMN1; SMN2ALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL10247505 | 0.72 | CYP19A1 (0.72) | — | |
| Hydrochloric Acid SCHEMBL412748 | 0.71 | CYP19A1 (0.70) | — | |
| SCHEMBL6950296 | 0.70 | TBXAS1 (0.58) | SMN1; SMN2KDM4ETSHRCYP1A2CYP3A4 | |
| SCHEMBL21098369 | 0.70 | SMN1; SMN2 (0.89) | SMN1; SMN2ALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL2926364 | 0.70 | CYP19A1 (0.78) | — | |
| SCHEMBL13177000 | 0.69 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1KDM4ENPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4568687-A | THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1986-02-04 | — | — | US | disclosed |
| EP-0117462-A2 | N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides | AMERICAN CYANAMID COMPANY (US) | 1984-09-05 | — | — | EP | disclosed |