Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | RARB | P10826 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10770845 | 0.95 | HRH3 (0.60) | HRH3KCNH2CYP2C9LMNALTA4H | |
| SCHEMBL28063059 | 0.94 | HRH3 (0.57) | HRH3KCNH2CYP2C9LMNALTA4H | |
| SCHEMBL9165613 | 0.91 | RARB (0.56) | HRH3KCNH2RARBTP53RAB9A | |
| SCHEMBL28826979 | 0.91 | HRH3 (0.65) | HRH3KCNH2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8451859 | 0.90 | NPC1 (0.51) | HRH3KCNH2CYP2C9RARBLMNA | |
| SCHEMBL8454933 | 0.90 | NPC1 (0.51) | HRH3KCNH2CYP2C9RARBLMNA | |
| SCHEMBL9291365 | 0.88 | RARB (0.51) | HRH3CYP2C9RARBLMNALTA4H | |
| SCHEMBL9291267 | 0.88 | RARB (0.51) | HRH3CYP2C9RARBLMNALTA4H | |
| SCHEMBL9291802 | 0.88 | RARB (0.51) | HRH3CYP2C9RARBLMNALTA4H | |
| SCHEMBL9291794 | 0.88 | RARB (0.51) | HRH3CYP2C9RARBLMNALTA4H |
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-0428720-A1 | OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE. | MERCK PATENT GMBH (DE) | 1991-05-29 | — | — | EP | disclosed |