Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7940296 | 0.75 | RAPGEF4 (0.36) | TSHRCYP1A2CYP2A6 | |
| SCHEMBL544660 | 0.74 | BCL2 (0.52) | BCL2BCL2L1ALOX5LDHALDHB | |
| SCHEMBL30292338 | 0.71 | TP53 (0.35) | CYP3A4CYP2D6TSHRCYP2C19BCL2 | |
| SCHEMBL1062516 | 0.71 | RAPGEF4 (0.39) | TSHRCYP1A2CYP2A6HSD17B10 | |
| SCHEMBL1276089 | 0.71 | CYP3A4 (0.57) | CYP3A4CYP2D6TSHRCYP2C19BCL2 | |
| SCHEMBL670158 | 0.71 | BCL2 (0.57) | CYP2C19BCL2BCL2L1ALOX5HIF1A | |
| SCHEMBL3301748 | 0.71 | CYP3A4 (0.53) | CYP3A4CYP2D6TSHRCYP2C19BCL2 | |
| SCHEMBL28049389 | 0.71 | BCL2 (0.47) | CYP3A4CYP2D6TSHRCYP2C19BCL2 | |
| SCHEMBL7819859 | 0.70 | CALM1 (0.48) | CYP3A4CYP2D6TSHRCYP2C19BCL2 | |
| SCHEMBL12816424 | 0.70 | CYP3A4 (0.39) | CYP3A4CYP2D6TSHRCYP2C19BCL2 |
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-6288279-B1 | THEIR PREPARATION PROCESS AND THEIR USE IN ASYMMETRICAL CATALYSIS. REARRANGING A DIPHOSPHOLE, REACTING THE DIPHOSPHOLE WITH AN ACETYLENIC COMPOUND TO FORM THE DIPHOSPHINE | RHODIA CHIMIE (FR) | 2001-09-11 | — | — | US | claimed |