Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 5/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 5/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 5/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 5/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 5/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19954168 | 0.82 | CYP3A4 (0.43) | CYP3A4LMNAHTR1ACHRM2ADRA2A | |
| SCHEMBL12812169 | 0.82 | CYP3A4 (0.43) | CYP3A4LMNAHTR1ACHRM2ADRA2A | |
| SCHEMBL19954150 | 0.80 | ALDH1A1 (0.51) | CYP3A4LMNAHTR1ACHRM2ADRA2A | |
| SCHEMBL13137650 | 0.80 | ALDH1A1 (0.51) | CYP3A4LMNAHTR1ACHRM2ADRA2A | |
| SCHEMBL23159289 | 0.76 | MEN1 (0.37) | CYP3A4LMNAHTR1ACHRM2ADRA2A | |
| SCHEMBL12812097 | 0.76 | ADRB2 (0.47) | CYP3A4LMNAADORA3SLC6A2SLC6A4 | |
| SCHEMBL6009882 | 0.73 | CA2 (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL19954182 | 0.72 | NR3C1 (0.35) | SIGMAR1 | |
| SCHEMBL17790211 | 0.72 | ALDH1A1 (0.36) | CYP3A4SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4827313 | 0.72 | ALDH1A1 (0.36) | CYP3A4SLC6A2SLC6A4SLC6A3KCNH2 |
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 |