Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL172344 | 0.87 | SIGMAR1 (0.66) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL13675826 | 0.84 | SIGMAR1 (0.49) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL8118291 | 0.84 | POLB (0.53) | SIGMAR1MEN1KMT2ALMNAACP3 | |
| SCHEMBL28552790 | 0.83 | SIGMAR1 (0.55) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL28552787 | 0.83 | SIGMAR1 (0.55) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL9768694 | 0.83 | SIGMAR1 (0.55) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL1200137 | 0.81 | SIGMAR1 (0.61) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL30763462 | 0.81 | SIGMAR1 (0.61) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL283979 | 0.81 | SIGMAR1 (0.61) | SIGMAR1MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL8437895 | 0.81 | SIGMAR1 (0.61) | SIGMAR1MEN1KMT2ALMNACYP3A4 |
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 |