Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20375684 | 0.80 | KCNA5 (0.39) | ESR1ESR2KMT2AMAPTHRH3 | |
| SCHEMBL12810601 | 0.79 | HRH3 (0.47) | ESR1ESR2KMT2AMAPTHRH3 | |
| SCHEMBL19415197 | 0.78 | KMT2A (0.52) | KMT2AMAPTHRH3CYP1A2CYP2D6 | |
| SCHEMBL6547237 | 0.77 | ESR1 (0.53) | ESR1ESR2TAAR1MAOATP53 | |
| SCHEMBL19308317 | 0.75 | CYP11B1 (0.48) | KMT2AMAPT | |
| SCHEMBL10087892 | 0.74 | GRIN2D (0.62) | ESR1ESR2MAPTCYP1A2CYP2D6 | |
| SCHEMBL30398570 | 0.72 | HRH3 (0.55) | KMT2AMAPTHRH3CYP1A2CYP2D6 | |
| SCHEMBL487617 | 0.72 | HRH3 (0.55) | KMT2AMAPTHRH3CYP1A2CYP2D6 | |
| SCHEMBL9069704 | 0.72 | ESR1 (0.61) | ESR1ESR2TAAR1MAOAMAOB | |
| SCHEMBL6546198 | 0.72 | ESR1 (0.57) | ESR1ESR2CYP2D6TAAR1MAOA |
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-3681884-B1 | RAD51 INHIBITORS | CYTEIR THERAPEUTICS INC (US) | 2022-06-01 | — | — | EP | disclosed |