Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | ACACB | O00763 | 11/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13433646 | 1.00 | RAB9A (0.47) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL9509946 | 0.96 | HRH3 (0.44) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL9511312 | 0.94 | RAB9A (0.53) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL18464120 | 0.92 | RAB9A (0.52) | RAB9AHRH3MAOAMAOBESR2 | |
| SCHEMBL9512268 | 0.92 | RAB9A (0.51) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL9510023 | 0.90 | RAB9A (0.50) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL13401992 | 0.90 | RAB9A (0.50) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL9500360 | 0.90 | MCHR1 (0.40) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL9500347 | 0.90 | MCHR1 (0.40) | RAB9AHRH3ACACBMAOAMAOB | |
| SCHEMBL9508530 | 0.88 | ESR2 (0.46) | RAB9AHRH3ACACBMAOAMAOB |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |