Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2757937 | 0.81 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL11148090 | 0.79 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL13545147 | 0.77 | PTGS1 (0.44) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL1254599 | 0.76 | CYP2D6 (0.49) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL1397437 | 0.76 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL9079832 | 0.74 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL2819446 | 0.74 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL1918364 | 0.74 | L3MBTL1 (0.46) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL3265864 | 0.72 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 | |
| SCHEMBL2177295 | 0.72 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2LMNAPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8304423-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-11-06 | — | — | US | disclosed |
| US-8003660-B2 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-08-23 | — | — | US | disclosed |