Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8567376 | 0.88 | CCR5 (0.52) | CCR5OPRM1CHRM2CHRM3ACHE | |
| SCHEMBL31015510 | 0.88 | CCR5 (0.52) | CCR5ACHEBCHE | |
| SCHEMBL31015593 | 0.86 | BCHE (0.53) | CCR5ACHEBCHE | |
| SCHEMBL9884888 | 0.86 | OPRM1 (0.52) | CCR5OPRM1CHRM2CHRM3ACHE | |
| SCHEMBL31015426 | 0.84 | BCHE (0.50) | CCR5ACHEBCHE | |
| Hydrochloric Acid SCHEMBL8480640 | 0.81 | OPRM1 (0.52) | CCR5OPRM1CHRM2CHRM3SIGMAR1 | |
| SCHEMBL28741984 | 0.81 | OPRM1 (0.53) | OPRM1CHRM2CHRM3ACHESIGMAR1 | |
| SCHEMBL803672 | 0.81 | SIGMAR1 (0.59) | OPRM1CHRM2CHRM3ACHEBCHE | |
| SCHEMBL34474746 | 0.80 | CCR5 (0.53) | CCR5OPRM1CHRM2CHRM3ACHE | |
| SCHEMBL7499304 | 0.80 | CCR5 (0.53) | CCR5OPRM1CHRM2CHRM3ACHE |
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-6156752-A | Optically active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC (US) | 2000-12-05 | — | — | US | disclosed |
| EP-0899261-A1 | Optical active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 1999-03-03 | — | — | EP | disclosed |