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 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2166886 | 0.89 | ESR2 (0.69) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL9264511 | 0.89 | ESR2 (0.69) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL14140579 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL20813129 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10177557 | 0.81 | DRD2 (0.49) | ESR2ESR1CYP2C9CYP3A4IDO1 | |
| SCHEMBL23368604 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL20813149 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL20739607 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7184310 | 0.81 | ESR2 (0.55) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10177748 | 0.81 | HTR2A (0.49) | ESR2ESR1CYP2C9CYP3A4IDO1 |
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-0253501-A2 | N-disubstituted cycloalkylmethyl amines useful as fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-20 | — | — | EP | disclosed |