Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | BAD | Q92934 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | BRS3 | P32247 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28184030 | 0.75 | POLB (0.43) | GAAALDH1A1SMN1; SMN2LMNAPOLB | |
| SCHEMBL31175286 | 0.75 | POLB (0.46) | NPC1RAB9AKMT2APDE4BALDH1A1 | |
| SCHEMBL21816306 | 0.75 | POLB (0.46) | NPC1RAB9AKMT2APDE4BALDH1A1 | |
| SCHEMBL31402608 | 0.70 | KMT2A (0.60) | NPC1GAARAB9AKMT2AMCL1 | |
| SCHEMBL372 | 0.70 | KMT2A (0.60) | NPC1GAARAB9AKMT2AMCL1 | |
| SCHEMBL31175307 | 0.70 | CYP3A4 (0.46) | KMT2AALDH1A1SMN1; SMN2POLBMYC | |
| SCHEMBL21816252 | 0.70 | POLB (0.43) | KMT2AALDH1A1SMN1; SMN2POLBMYC | |
| SCHEMBL11142513 | 0.70 | POLB (0.54) | NPC1GAARAB9AKMT2AMCL1 | |
| SCHEMBL16720212 | 0.69 | NPC1 (0.44) | NPC1RAB9AKMT2AHNF4AALDH1A1 | |
| SCHEMBL15048857 | 0.69 | NPC1 (0.44) | NPC1GAARAB9AKMT2AMCL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2225213-A1 | TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009077366-A1 | TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |