Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL20142184 | 0.88 | IRAK4 (0.41) | ALDH1A1HTR6HRH4 | |
| SCHEMBL20141173 | 0.80 | MEN1 (0.34) | KDM4EKMT2A | |
| SCHEMBL20141639 | 0.73 | GPR119 (0.43) | ALDH1A1 | |
| SCHEMBL30359952 | 0.71 | BRD4 (0.32) | IMPDH2IMPDH1 | |
| SCHEMBL29232496 | 0.69 | ALDH1A1 (0.43) | ALDH1A1ROCK2ROCK1CDC42BPBHTR6 | |
| SCHEMBL30164060 | 0.68 | ADRB1 (0.50) | ALDH1A1ROCK2ROCK1CDC42BPBHTR6 | |
| SCHEMBL20141837 | 0.68 | ALDH1A1 (0.49) | ALDH1A1ROCK2ROCK1CDC42BPBHTR6 | |
| SCHEMBL30687262 | 0.67 | TNF (0.44) | IMPDH2IMPDH1 | |
| SCHEMBL21178948 | 0.67 | TNF (0.53) | IMPDH2IMPDH1 | |
| SCHEMBL22076299 | 0.67 | IMPDH2 (0.39) | IMPDH2IMPDH1 |
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 |