Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL20846484 | 0.86 | HPGD (0.43) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23373370 | 0.84 | KMT2A (0.41) | HPGDALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL3779225 | 0.83 | CYP1A2 (0.31) | SMN1; SMN2HRH3 | |
| SCHEMBL13840404 | 0.80 | EPHX2 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL12406349 | 0.79 | PKM (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL23554865 | 0.79 | PKM (0.40) | ALDH1A1SMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL14538645 | 0.78 | KMT2A (0.39) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12169282 | 0.78 | KMT2A (0.39) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3784221 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL3785187 | 0.78 | CYP1A2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009064959-A1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-22 | — | — | WO | disclosed |
| WO-2007056341-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |