Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.55 |
| ▸ | ESR1 | P03372 | 6/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20813149 | 1.00 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL20813129 | 1.00 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7888319 | 0.89 | ESR2 (0.69) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL24495217 | 0.86 | ESR2 (0.46) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL14140579 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7184307 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL20739607 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10692927 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7184310 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8029813 | 0.81 | SLC18A3 (0.56) | ESR2ESR1CYP2C9CYP3A4CYP2D6 |
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-3183242-B1 | SUBSTITUTED BICYCLIC COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-05-19 | — | — | EP | disclosed |