Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13137650 | 1.00 | ALDH1A1 (0.51) | ALDH1A1LMNAHTTKMT2AMITF | |
| SCHEMBL25585953 | 0.83 | HTT (0.47) | ALDH1A1LMNAHTTKMT2AMITF | |
| SCHEMBL12227624 | 0.83 | HTT (0.47) | ALDH1A1LMNAHTTKMT2AMITF | |
| SCHEMBL13911226 | 0.83 | HTT (0.47) | ALDH1A1LMNAHTTKMT2AMITF | |
| SCHEMBL13911202 | 0.82 | SMN1; SMN2 (0.49) | ALDH1A1LMNAHTTKMT2AMAPT | |
| SCHEMBL13137645 | 0.82 | SMN1; SMN2 (0.49) | ALDH1A1LMNAHTTKMT2AMAPT | |
| SCHEMBL8443448 | 0.80 | HTR1A (0.48) | ALDH1A1LMNAHTTKMT2AHTR1A | |
| SCHEMBL13137649 | 0.80 | ESR1 (0.47) | ALDH1A1LMNAHTTKMT2AMAPT | |
| SCHEMBL19954142 | 0.80 | PSEN1 (0.36) | ALDH1A1LMNAHTTKMT2AMITF | |
| SCHEMBL3034755 | 0.80 | CYP3A4 (0.44) | ALDH1A1LMNAHTTKMT2AHTR1A |
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 |