Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551857 | 0.84 | CYP3A4 (0.37) | CYP1A2DRD2DRD4DRD3 | |
| SCHEMBL8301869 | 0.78 | CHRM2 (0.48) | CHRM1LMNACHRM2USP2ALDH1A1 | |
| SCHEMBL8550821 | 0.77 | CYP3A4 (0.42) | ALDH1A1CYP1A2 | |
| SCHEMBL8706553 | 0.73 | AKT1 (0.38) | CHRM1LMNACHRM2USP2ALDH1A1 | |
| SCHEMBL8300334 | 0.68 | RAB9A (0.50) | CHRM1LMNACHRM2USP2ALDH1A1 | |
| SCHEMBL8548089 | 0.68 | ALDH1A1 (0.41) | CHRM1LMNAALDH1A1DRD2DRD4 | |
| SCHEMBL8417093 | 0.67 | BRD4 (0.33) | LMNAALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL8790717 | 0.63 | RAB9A (0.53) | CHRM1LMNACHRM2USP2ALDH1A1 | |
| SCHEMBL8300867 | 0.63 | RAB9A (0.53) | CHRM1LMNACHRM2USP2ALDH1A1 | |
| SCHEMBL169540 | 0.63 | PDE4A (0.48) | LMNAALDH1A1CYP2D6GMNN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5837704-A | PREVENTION OR TREATMENT OF AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0745083-B1 | 2-HETEROARYL-5,11-DIHYDRO-6H-DIPYRIDO [3,2-b:2',3'-e][1,4]DIAZEPINES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION | BOEHRINGER INGELHEIM PHARMA (US) | 1998-05-20 | — | — | EP | disclosed |