Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.61 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19003300 | 0.76 | HSD17B1 (0.45) | TRPV1HSD17B1HSD17B2NOTUMNPC1 | |
| SCHEMBL9002868 | 0.74 | TRPV1 (0.58) | TRPV1HSD17B1HSD17B2NPC1RAB9A | |
| SCHEMBL14340845 | 0.72 | HCAR2 (0.67) | TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL19003343 | 0.72 | MAPT (0.46) | NOTUMHPGDMAPTKDM4EHSD17B10 | |
| SCHEMBL29236054 | 0.72 | NOTUM (0.56) | TRPV1NOTUMHPGDESR1POLB | |
| SCHEMBL3182274 | 0.72 | TRPV1 (0.55) | TRPV1HSD17B1HSD17B2HPGDMAPT | |
| SCHEMBL4619799 | 0.69 | RPS6KB2 (0.60) | TRPV1RAB9APOLBMAPTHSD17B10 | |
| SCHEMBL29235975 | 0.69 | TSHR (0.58) | NOTUMHPGDESR1POLBMAPT | |
| SCHEMBL17205531 | 0.67 | TRPV1 (1.00) | TRPV1 | |
| SCHEMBL5571187 | 0.67 | NOTUM (0.91) | NOTUMMAPTKDM4ETSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017102014-A1 | PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE | UNIVERSITE D'AIX-MARSEILLE (FR) | 2017-06-22 | — | — | WO | disclosed |