Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL398048 | 0.91 | ALDH1A1 (0.48) | ALDH1A1HTTSMN1; SMN2NPC1MEN1 | |
| SCHEMBL28370017 | 0.76 | ALDH1A1 (0.61) | ALDH1A1HTTSMN1; SMN2MEN1LMNA | |
| SCHEMBL13832427 | 0.74 | ALDH1A1 (0.69) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7447972 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7448057 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL1697905 | 0.74 | RAB9A (0.61) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1 | |
| SCHEMBL395262 | 0.73 | TDP1 (0.49) | SMN1; SMN2NPC1RAB9AMEN1MAPT | |
| SCHEMBL29790609 | 0.73 | AR (0.55) | ALDH1A1HTTSMN1; SMN2MAPK1LMNA | |
| SCHEMBL1181321 | 0.73 | MAPT (0.44) | MEN1MAPTKMT2A | |
| SCHEMBL9116516 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2532650-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |
| EP-2530075-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-2522659-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2502914-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502913-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502912-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502902-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502911-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2489659-A1 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |