Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.57 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.53 |
| ▸ | ABAT | P80404 | 1/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27841940 | 0.89 | ALDH3A1 (0.52) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL2924523 | 0.87 | ALDH3A1 (0.62) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL17922571 | 0.82 | ALDH1A1 (0.58) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL30353219 | 0.82 | ALDH1A1 (0.58) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL27780985 | 0.81 | ALDH5A1 (0.56) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL5080802 | 0.80 | TYR (0.43) | ALDH3A1ALDH1A1TDP1MAPTALDH1A3 | |
| SCHEMBL4575571 | 0.79 | ALDH5A1 (0.62) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL6355056 | 0.79 | ALDH5A1 (0.57) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL8759780 | 0.79 | ALDH5A1 (0.57) | ALDH3A1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL8887647 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPTHPGDSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-102652128-A | 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-08-29 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |