Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.45 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.45 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.45 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9819062 | 0.91 | TRPV1 (0.49) | NPC1RAB9ATRPV1KDRMAPT | |
| SCHEMBL9818928 | 0.90 | EPHX2 (0.50) | NPC1RAB9ATRPV1DHODH | |
| SCHEMBL9819015 | 0.88 | TRPV1 (0.63) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL9819134 | 0.88 | TRPV1 (0.63) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL9818938 | 0.87 | TRPV1 (0.47) | NPC1RAB9ATRPV1MAPTHTT | |
| SCHEMBL9819042 | 0.87 | MAOB (0.47) | NPC1RAB9ASMN1; SMN2TRPV1MAOB | |
| SCHEMBL9818907 | 0.87 | MAOB (0.47) | NPC1RAB9ASMN1; SMN2TRPV1MAOB | |
| SCHEMBL9819198 | 0.85 | ENPP3 (0.49) | SMN1; SMN2TRPV1MAPTLMNAHTT | |
| SCHEMBL9819139 | 0.85 | TRPV1 (0.44) | TRPV1KDRMAPTDHODHALDH1A1 | |
| SCHEMBL9819032 | 0.84 | MLYCD (0.52) | NPC1RAB9ATRPV1DHODH |
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 |
|---|---|---|---|---|---|---|---|
| US-5034410-A | Nitrile and oxo containing amides or thioamides | SYNTEX (U.S.A.) INC. (US) | 1991-07-23 | — | — | US | disclosed |