Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19901472 | 0.72 | PTPN1 (0.36) | CES1PTPRCLMNACYP1A2CYP3A4 | |
| SCHEMBL19901471 | 0.67 | MAOA (0.42) | CYP3A4TSHR | |
| SCHEMBL19901476 | 0.66 | PTPRC (0.43) | CES1PTPRC | |
| SCHEMBL10038365 | 0.64 | CES1 (0.52) | CES1PTPRCLMNACYP1A2CHRM2 | |
| SCHEMBL19901467 | 0.62 | PTPRC (0.43) | CES1PTPRC | |
| SCHEMBL25078668 | 0.61 | — | — | |
| SCHEMBL19901468 | 0.58 | — | — | |
| SCHEMBL19901470 | 0.58 | — | — | |
| SCHEMBL3989392 | 0.58 | CES1 (0.35) | CES1PTPRC | |
| SCHEMBL2111492 | 0.58 | CES1 (0.70) | CES1PTPRC |
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-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |