Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 11/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 5/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7315850 | 0.86 | PTGDR2 (0.40) | PTGDR2KMOPTGDRPTGER2ACMSD | |
| SCHEMBL7321511 | 0.81 | SLC18A3 (0.40) | PTGDR2KMOPTGDRPTGER2ACMSD | |
| SCHEMBL28190260 | 0.81 | CCR2 (0.36) | CYP2C9 | |
| SCHEMBL7317859 | 0.81 | HAO1 (0.44) | CYP3A4CYP2C9KMOACMSD | |
| SCHEMBL28190259 | 0.74 | CES2 (0.35) | — | |
| SCHEMBL28316797 | 0.74 | KDM1A (0.46) | — | |
| SCHEMBL7319310 | 0.73 | PTGDR2 (0.34) | CYP3A4PTGDR2KMOPTGDRPTGER2 | |
| SCHEMBL28876302 | 0.73 | LIG1 (0.44) | CYP2C9 | |
| SCHEMBL8328994 | 0.72 | OPRL1 (0.46) | CYP3A4CYP2C9KMOACMSDAPP | |
| SCHEMBL7311176 | 0.72 | KMO (0.42) | CYP3A4PTGDR2CYP2C9KMOS1PR4 |
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-6235791-B1 | USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE | SANOFI-SYNTHELABO (FR) | 2001-05-22 | — | — | US | disclosed |