Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4715552 | 0.76 | RAB9A (0.58) | ALDH1A1KMT2AKDM4ELMNANPC1 | |
| SCHEMBL20746151 | 0.75 | ALDH1A1 (0.51) | ALDH1A1KMT2ALMNAPKM | |
| SCHEMBL30712073 | 0.74 | ALOX5 (0.63) | KMT2ANPC1RAB9A | |
| SCHEMBL19459867 | 0.74 | ALOX5 (0.63) | KMT2ANPC1RAB9A | |
| SCHEMBL4715549 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4ELMNANPC1 | |
| SCHEMBL1558423 | 0.71 | ALDH1A1 (1.00) | ALDH1A1KMT2AKDM4ELMNARAB9A | |
| SCHEMBL393338 | 0.69 | CFTR (0.57) | ALDH1A1KMT2APKM | |
| SCHEMBL1413396 | 0.68 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4ELMNA | |
| SCHEMBL11921542 | 0.68 | CFTR (0.68) | ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL20181880 | 0.68 | ALDH1A1 (0.75) | ALDH1A1KMT2AKDM4ELMNARAB9A |
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-1933831-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals, Inc. (US) | 2008-06-25 | — | — | EP | claimed |
| WO-2007044560-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-04-19 | — | — | WO | claimed |