Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL21165799 | 1.00 | ESR2 (0.37) | ESR2KDM1AHRH3ALDH1A1ACACB | |
| SCHEMBL9509427 | 0.92 | ESR2 (0.35) | ESR2HRH3ACACBCHRM1HTR2A | |
| SCHEMBL9512298 | 0.91 | RAB9A (0.38) | ESR2HRH3ACACBCHRM1HTR2A | |
| SCHEMBL9509280 | 0.90 | RAB9A (0.35) | ESR2HRH3ALDH1A1ACACB | |
| SCHEMBL9509015 | 0.89 | ACACB (0.38) | KDM1AACACB | |
| SCHEMBL21165795 | 0.89 | KDM1A (0.36) | KDM1AHRH3ALDH1A1MEN1KMT2A | |
| SCHEMBL91984 | 0.88 | ESR2 (0.39) | ESR2KDM1A | |
| SCHEMBL12230852 | 0.88 | ESR2 (0.39) | ESR2KDM1A | |
| SCHEMBL9512291 | 0.88 | ESR2 (0.39) | ESR2KDM1A | |
| SCHEMBL21165797 | 0.87 | CYP2C9 (0.41) | ESR2KDM1AALDH1A1ACACBMEN1 |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | claimed |
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |