Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL108460 | 0.93 | — | — | |
| SCHEMBL29512257 | 0.93 | — | — | |
| Methylsulfanylmethane SCHEMBL28235711 | 0.86 | PDE3B (0.32) | PDE3BPDE3A | |
| SCHEMBL28865690 | 0.82 | PDE3B (0.34) | PDE3BPDE3ACYP2A6 | |
| SCHEMBL15272101 | 0.81 | JAK3 (0.31) | — | |
| SCHEMBL10835446 | 0.77 | PDE10A (0.38) | — | |
| SCHEMBL1131513 | 0.76 | PDE3B (0.39) | PDE3BPDE3A | |
| SCHEMBL34472956 | 0.76 | PDE3B (0.39) | PDE3BPDE3A | |
| SCHEMBL10836044 | 0.74 | CYP2D6 (0.35) | CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL28980458 | 0.73 | PDE3B (0.38) | PDE3BPDE3A |
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-4668817-A | PERFUMES, FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1987-05-26 | — | — | US | disclosed |
| US-4537704-A | Alkyl substituted and unsubstituted para-carboalkoxy cyclohexanones and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-08-27 | — | — | US | disclosed |