Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 9/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | 0.94 | RAB9A (0.38) | ESR2ACACBRAB9AHRH3PDE4A | |
| SCHEMBL9509280 | 0.93 | RAB9A (0.35) | ESR2ACACBRAB9AHRH3 | |
| SCHEMBL21165799 | 0.92 | ESR2 (0.37) | ESR2ACACBHRH3HTR2ACHRM1 | |
| SCHEMBL9511367 | 0.92 | ESR2 (0.37) | ESR2ACACBHRH3HTR2ACHRM1 | |
| SCHEMBL9512338 | 0.90 | ACACB (0.34) | ACACBPDE4A | |
| SCHEMBL9508834 | 0.89 | CYP2C9 (0.39) | ESR2ACACBPDE4A | |
| SCHEMBL9510141 | 0.87 | ACACB (0.33) | ACACBRAB9AHRH3 | |
| SCHEMBL9508734 | 0.86 | ACACB (0.33) | ACACBRAB9AHRH3 | |
| SCHEMBL10515991 | 0.86 | CYP2C9 (0.31) | — | |
| SCHEMBL9512361 | 0.85 | SPHK1 (0.33) | ACACBRAB9AHRH3 |
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 |