Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 3/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PGK2 | P07205 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10949262 | 0.77 | TSHR (0.42) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL4615537 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP19A1ALDH1A1LMNAPTPN1 | |
| SCHEMBL10797362 | 0.76 | TSHR (0.46) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL10590638 | 0.76 | ALDH1A1 (0.42) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL4821001 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP19A1ALDH1A1LMNAPTPN1 | |
| SCHEMBL5604300 | 0.76 | TSHR (0.46) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL302601 | 0.76 | TSHR (0.46) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL11689491 | 0.74 | TSHR (0.44) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL10507150 | 0.72 | CYP19A1 (0.40) | CYP1A2CYP19A1ALDH1A1LMNAPTPN1 | |
| SCHEMBL1348352 | 0.72 | MAPT (0.42) | CYP19A1ALDH1A1LMNAFBP1PTPRC |
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 |
|---|---|---|---|---|---|---|---|
| US-4603227-A | Novel process for preparing α-(trichloromethyl)benzyl alcohols from benzaldehydes | MERCK & CO., INC. (US) | 1986-07-29 | — | — | US | disclosed |