Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 17/20 | 0.43 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090650 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL3056764 | 0.81 | SMN1; SMN2 (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL26523800 | 0.72 | SMN1; SMN2 (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL13545103 | 0.71 | — | — | |
| SCHEMBL1091423 | 0.71 | — | — | |
| SCHEMBL26526008 | 0.71 | SMN1; SMN2 (0.36) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL1703668 | 0.69 | ALDH1A1 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1GAA | |
| SCHEMBL31123940 | 0.68 | HCAR2 (0.61) | SMN1; SMN2RAB9AALDH1A1GAACYP1A2 | |
| SCHEMBL17761981 | 0.67 | MAPT (0.61) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL2328124 | 0.67 | NOTUM (0.43) | SMN1; SMN2NPC1RAB9AALDH1A1S1PR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428340-B1 | Heterocyclic compounds | ZENECA LTD (GB) | 1995-05-31 | — | — | EP | claimed |
| EP-0428340-A1 | Heterocyclic compounds | ZENECA LIMITED (GB) | 1991-05-22 | — | — | EP | claimed |
| EP-0428340-B1 | Heterocyclic compounds | ZENECA LTD (GB) | 1995-05-31 | — | — | EP | disclosed |
| US-5324741-A | Heterocyclic isoxazole compounds having nematicidal activity | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-06-28 | — | — | US | disclosed |
| EP-0428340-A1 | Heterocyclic compounds | ZENECA LIMITED (GB) | 1991-05-22 | — | — | EP | disclosed |