Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14646615 | 1.00 | CYP1A2 (0.38) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL21131478 | 0.95 | CYP1A2 (0.43) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL15178226 | 0.85 | CYP1A2 (0.48) | CYP1A2 | |
| SCHEMBL10972704 | 0.83 | CYP1A2 (0.46) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL23334078 | 0.82 | CYP1A2 (0.43) | CYP1A2CA1CA2CA4NOS3 | |
| SCHEMBL1652890 | 0.81 | — | — | |
| SCHEMBL7174191 | 0.79 | — | — | |
| SCHEMBL29065443 | 0.78 | CYP1A2 (0.52) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL7990548 | 0.77 | HPGD (0.31) | — | |
| SCHEMBL7990550 | 0.77 | HPGD (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1773869-B9 | MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR | TRANZYME PHARMA INC (CA) | 2013-01-23 | — | — | EP | disclosed |
| US-6388128-B1 | Stannane synthesis of prostanoids | ALCON MANUFACTURING, LTD. | 2002-05-14 | — | — | US | disclosed |