Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27687503 | 0.78 | HDAC1 (0.45) | HDAC1HDAC7HDAC8HDAC6ALDH1A1 | |
| SCHEMBL6864336 | 0.77 | FABP3 (0.46) | ALDH1A1FABP3FABP4FABP5LMNA | |
| SCHEMBL6716559 | 0.72 | HTT (0.43) | ALDH1A1MEN1HPGDKMT2ARAB9A | |
| SCHEMBL5716690 | 0.72 | KIF11 (0.45) | HDAC1HDAC7HDAC8HDAC6ALDH1A1 | |
| SCHEMBL6681437 | 0.72 | MAPT (0.42) | HDAC1HDAC7HDAC8HDAC6ALDH1A1 | |
| SCHEMBL6517495 | 0.70 | CA2 (0.56) | HDAC1HDAC7HDAC8HDAC6ALDH1A1 | |
| SCHEMBL742856 | 0.70 | ALDH1A1 (0.39) | HDAC1HDAC7HDAC8HDAC6ALDH1A1 | |
| SCHEMBL27831821 | 0.70 | FABP3 (0.47) | HDAC1HDAC7HDAC8HDAC6ALDH1A1 | |
| SCHEMBL13900391 | 0.69 | SMN1; SMN2 (0.43) | ALDH1A1TACR1FABP3FABP4FABP5 | |
| SCHEMBL29574036 | 0.69 | FABP3 (0.67) | ALDH1A1FABP3FABP4FABP5LMNA |
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-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |