Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9063882 | 0.79 | CYP1A2 (0.58) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL126749 | 0.74 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL11860744 | 0.74 | CYP1A2 (0.58) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL5946723 | 0.74 | CYP1A2 (0.58) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL9320828 | 0.72 | CYP1A2 (0.56) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| Phosphine SCHEMBL1134202 | 0.72 | CYP1A2 (0.56) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL2573964 | 0.72 | TAAR1 (0.58) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL5968241 | 0.72 | CYP1A2 (0.56) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL30797203 | 0.72 | CYP2C9 (0.56) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 | |
| SCHEMBL10556172 | 0.72 | CYP2C9 (0.56) | CYP2C9CYP2C19CYP1A2SLC6A2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4178991-A1 | CATALYTIC SYSTEM FOR THE STEREOSPECIFIC POLYMERIZATION OF DIENES AND USE THEREOF IN A PROCESS FOR SYNTHESISING DIENE POLYMERS | Compagnie Générale des Etablissements Michelin (FR) | 2023-05-17 | — | — | EP | disclosed |