Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.58 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8759014 | 1.00 | RARB (0.58) | RARBNR5A1CYP3A4CYP2D6NPC1 | |
| SCHEMBL8532324 | 1.00 | RARB (0.58) | RARBNR5A1CYP3A4CYP2D6NPC1 | |
| SCHEMBL14064703 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL2553422 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL7763453 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL4809789 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL11144854 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL9308805 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL9561907 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD | |
| SCHEMBL27560553 | 0.95 | NR5A1 (0.61) | NR5A1NPC1RAB9ATP53HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885869-A1 | THERAPEUTIC AGENT FOR DIABETES | Japan Tobacco Inc. (JP) | 1998-12-23 | — | — | EP | disclosed |
| US-5776365-A | COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST | MITSUI CHEMICALS, INC. (JP) | 1998-07-07 | — | — | US | disclosed |
| US-5725798-A | CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-10 | — | — | US | disclosed |