Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | ESRRG | P62508 | 6/20 | 0.43 |
| ▸ | ESRRB | O95718 | 5/20 | 0.42 |
| ▸ | ESR1 | P03372 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11133248 | 0.91 | CHRNB2 (0.49) | CHRNB2CHRNA4ESRRGESRRBESR1 | |
| SCHEMBL4309220 | 0.91 | CHRNB2 (0.51) | CHRNB2CHRNA4ESRRGESRRBESR1 | |
| SCHEMBL4309222 | 0.91 | CHRNB2 (0.51) | CHRNB2CHRNA4ESRRGESRRBESR1 | |
| SCHEMBL28421381 | 0.89 | ESRRG (0.53) | ESRRGESRRBESR1ALDH1A1LMNA | |
| SCHEMBL2710225 | 0.81 | CYP2D6 (0.55) | ESRRGESRRBESR1KDM4EALDH1A1 | |
| SCHEMBL8732737 | 0.81 | CYP2D6 (0.55) | ESRRGESRRBESR1KDM4EALDH1A1 | |
| SCHEMBL7929087 | 0.81 | CYP2D6 (0.55) | ESRRGESRRBESR1KDM4EALDH1A1 | |
| SCHEMBL11117215 | 0.81 | ESR1 (0.47) | ESR1KDM4EALDH1A1KMT2AESR2 | |
| SCHEMBL4543424 | 0.80 | ESR1 (0.59) | ESRRGESRRBESR1KDM4EALDH1A1 | |
| SCHEMBL11570305 | 0.79 | ESR1 (0.49) | ESRRGESRRBESR1KDM4EALDH1A1 |
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-0107208-A1 | 1,1,2-Triphenyl-but-1-ene derivatives, process for their preparation and their use as medicines | Klinge Pharma GmbH (DE) | 1984-05-02 | — | — | EP | disclosed |