Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11649221 | 0.86 | ALDH1A1 (0.37) | ALDH1A1MAPK1HPGDHTR7SMN1; SMN2 | |
| SCHEMBL3364564 | 0.77 | NPC1 (0.44) | ALDH1A1MAPK1HPGDMAPTNPSR1 | |
| SCHEMBL29433183 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| SCHEMBL6723948 | 0.75 | MEN1 (0.45) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| SCHEMBL1254512 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| SCHEMBL11302161 | 0.75 | ALDH1A1 (0.48) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| SCHEMBL5404983 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| Methoxymethane SCHEMBL27842914 | 0.73 | ALDH1A1 (0.50) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| SCHEMBL30763243 | 0.73 | ALDH1A1 (0.44) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 | |
| SCHEMBL27516508 | 0.73 | ALDH1A1 (0.44) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |