Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 5/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ACACB | O00763 | 1/20 | 0.57 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790249 | 0.89 | ROCK2 (0.71) | ROCK2HPGDCYP1A2GAACYP2C9 | |
| SCHEMBL14853589 | 0.86 | KMT2A (0.73) | HPGDSMN1; SMN2POLBALDH1A1TSHR | |
| SCHEMBL18901389 | 0.84 | HPGD (0.70) | ROCK2HPGDCYP1A2GAACYP2C9 | |
| SCHEMBL19954249 | 0.83 | MEN1 (0.54) | ROCK2POLBALDH1A1MEN1KMT2A | |
| SCHEMBL279837 | 0.81 | HPGD (1.00) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL12852623 | 0.79 | ATM (0.75) | ROCK2HPGDCYP1A2GAACYP2C9 | |
| SCHEMBL4763832 | 0.79 | HPGD (0.73) | ROCK2HPGDCYP1A2GAACYP2C9 | |
| SCHEMBL18176012 | 0.79 | HPGD (0.73) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL743611 | 0.78 | HPGD (1.00) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL30678539 | 0.78 | HPGD (1.00) | HPGDCYP1A2GAACYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |