Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10453972 | 1.00 | HRH3 (0.59) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL11831277 | 0.95 | HRH3 (0.63) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL16307340 | 0.92 | NR5A1 (0.58) | HRH3CYP2C9RAB9ANR5A1S1PR3 | |
| SCHEMBL11829037 | 0.89 | HRH3 (0.59) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL5090798 | 0.88 | NPC1 (0.59) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL12288978 | 0.87 | RAB9A (0.61) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL11831462 | 0.87 | HRH3 (0.55) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL1509692 | 0.86 | HRH3 (0.60) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL1509691 | 0.86 | HRH3 (0.60) | HRH3CYP2C9CYP3A4KCNH2RAB9A | |
| SCHEMBL28063059 | 0.86 | HRH3 (0.57) | HRH3CYP2C9KCNH2RAB9ANR5A1 |
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-0257048-A1 | OPTICALLY ACTIVE COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-03-02 | — | — | EP | disclosed |
| WO-1987005018-A2 | OPTICALLY ACTIVE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-08-27 | — | — | WO | disclosed |