Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | FPR2 | P25090 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512298 | 0.97 | RAB9A (0.38) | RAB9AESR2SPHK1HRH3HPGD | |
| SCHEMBL9509427 | 0.93 | ESR2 (0.35) | RAB9AESR2HRH3ACACB | |
| SCHEMBL9509319 | 0.90 | ACACB (0.33) | RAB9ASPHK1HRH3HPGDALDH1A1 | |
| SCHEMBL21165799 | 0.90 | ESR2 (0.37) | ESR2HRH3ALDH1A1ACACB | |
| SCHEMBL9511367 | 0.90 | ESR2 (0.37) | ESR2HRH3ALDH1A1ACACB | |
| SCHEMBL9510173 | 0.89 | CYP2C9 (0.38) | RAB9ASPHK1HRH3HPGDALDH1A1 | |
| SCHEMBL9511457 | 0.89 | CYP2C9 (0.33) | RAB9ASPHK1HRH3HPGDALDH1A1 | |
| SCHEMBL9511356 | 0.89 | CYP2C9 (0.33) | RAB9ASPHK1HRH3HPGDALDH1A1 | |
| SCHEMBL9508780 | 0.89 | SPHK1 (0.33) | RAB9ASPHK1HRH3HPGDALDH1A1 | |
| SCHEMBL9512396 | 0.89 | SPHK1 (0.33) | RAB9ASPHK1HRH3HPGDALDH1A1 |
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 |