Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20140001 | 0.98 | ALDH1A1 (0.66) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| Hydrochloric Acid SCHEMBL20140912 | 0.98 | ALDH1A1 (0.66) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| SCHEMBL8295259 | 0.88 | ALDH1A1 (0.75) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| SCHEMBL30073656 | 0.88 | ALDH1A1 (0.75) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| SCHEMBL24986784 | 0.87 | ALDH1A1 (0.61) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| SCHEMBL30164178 | 0.87 | ALDH1A1 (0.61) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| SCHEMBL29232386 | 0.84 | ALDH1A1 (0.57) | ALDH1A1OPRL1DRD2DRD3MAPT | |
| SCHEMBL30918446 | 0.84 | ALDH1A1 (0.57) | ALDH1A1OPRL1DRD2DRD3MAPT | |
| SCHEMBL24984205 | 0.84 | ALDH1A1 (0.57) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 | |
| SCHEMBL4238741 | 0.83 | ALDH1A1 (0.68) | ALDH1A1ROCK2ROCK1CDC42BPBOPRL1 |
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-2018089433-A1 | PHENYL mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |