Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404659 | 0.87 | KMT2A (0.81) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL17790249 | 0.86 | ROCK2 (0.71) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL4763832 | 0.85 | HPGD (0.73) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL18176012 | 0.85 | HPGD (0.73) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL19954258 | 0.84 | ROCK2 (0.68) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL13151158 | 0.83 | ATM (0.75) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL279837 | 0.82 | HPGD (1.00) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL743611 | 0.82 | HPGD (1.00) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL30678539 | 0.82 | HPGD (1.00) | HPGDCYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL29687327 | 0.82 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |