Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 8/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.31 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2641075 | 0.82 | ABCB11 (0.52) | ABCB11TRPA1ESR1ESR2CYP2C9 | |
| SCHEMBL6565095 | 0.82 | ESR1 (0.43) | TRPA1ESR1ESR2MEN1ALDH1A1 | |
| SCHEMBL9883181 | 0.79 | ESR1 (0.40) | ESR1ESR2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL31477148 | 0.79 | GRIA1 (0.47) | ABCB11TRPA1MEN1ALDH1A1KMT2A | |
| SCHEMBL14646402 | 0.79 | GRIA1 (0.47) | ABCB11TRPA1MEN1ALDH1A1KMT2A | |
| SCHEMBL450037 | 0.76 | ESR1 (0.61) | ESR1ESR2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL6933308 | 0.75 | ABCB11 (0.47) | ABCB11TRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL10396706 | 0.75 | ABCB11 (0.47) | ABCB11TRPA1ESR1ESR2CYP2C9 | |
| SCHEMBL10396707 | 0.75 | ABCB11 (0.47) | ABCB11TRPA1ESR1ESR2CYP2C9 | |
| SCHEMBL9694221 | 0.75 | ABCB11 (0.47) | ABCB11TRPA1ESR1ESR2FFAR1 |
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-1951663-A2 | (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE' pha.r.ma s.p.a. (IT) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007060215-A2 | (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE' PHA.R.MA S.P.A. (IT) | 2007-05-31 | — | — | WO | disclosed |