Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | HNF4A | P41235 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | ACLY | P53396 | 3/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL27786187 | 0.82 | PTPN1 (0.58) | PTPN1AKR1C2AKR1C1AKR1C4AKR1C3 | |
| SCHEMBL27879335 | 0.80 | NPC1 (0.66) | NPC1RAB9AACLYDHODHHDAC3 | |
| SCHEMBL27863059 | 0.79 | NPC1 (0.47) | NPC1RAB9APTPN1AKR1C2AKR1C1 | |
| SCHEMBL27846422 | 0.78 | KMT2A (0.59) | PTPN1AKR1C2AKR1C1AKR1C4AKR1C3 | |
| SCHEMBL14784538 | 0.78 | PTPN1 (0.53) | PTPN1AKR1C2AKR1C1AKR1C4AKR1C3 | |
| SCHEMBL28794195 | 0.77 | PTGS1 (0.64) | PTPN1PTPN2PTPN6KDM4EHDAC3 | |
| SCHEMBL3467831 | 0.76 | PTPN1 (0.51) | PTPN1AKR1C2AKR1C1AKR1C4AKR1C3 | |
| SCHEMBL28794193 | 0.76 | HDAC1 (0.41) | PTPN1KDM4EHSD17B10HDAC3HDAC1 | |
| SCHEMBL27827712 | 0.75 | PTPN1 (0.50) | NPC1RAB9APTPN1AKR1C2AKR1C1 | |
| SCHEMBL23645564 | 0.73 | PTPN1 (0.48) | PTPN1AKR1C2AKR1C1AKR1C4AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101903359-B | Triazole-substituted arylamide derivatives and their use as P2X3 and/or P2X2/3 purinergic receptor antagonists | HOFFMANN LA ROCHE | 2013-05-22 | — | — | CN | disclosed |
| CN-101903359-A | Triazole-substituted arylamide derivatives and their use as P2X3And/or P2X2/3Use of purinergic receptor antagonists | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |