Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 8/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.56 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11145829 | 0.85 | CACNA1B (0.49) | TBXAS1KMT2ACYP19A1CYP11B1 | |
| SCHEMBL11145004 | 0.84 | CYP2A6 (0.52) | TBXAS1CYP3A4TDP1MEN1KMT2A | |
| SCHEMBL11149487 | 0.84 | CYP19A1 (0.51) | TBXAS1CYP19A1CYP11B1IDO1 | |
| SCHEMBL11158462 | 0.84 | CYP19A1 (0.51) | CYP3A4MAPK1CYP19A1CYP11B1IDO1 | |
| Hydrochloric Acid SCHEMBL11147406 | 0.84 | CACNA1B (0.48) | TBXAS1KMT2ACYP19A1CYP11B1 | |
| SCHEMBL11146917 | 0.83 | ACACB (0.50) | TBXAS1ALDH1A1MEN1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL11149860 | 0.83 | CYP2A6 (0.51) | TBXAS1CYP3A4TDP1MEN1KMT2A | |
| SCHEMBL11285064 | 0.82 | CYP19A1 (0.57) | TBXAS1ALDH1A1CYP3A4MAPTTDP1 | |
| SCHEMBL10892777 | 0.82 | TBXAS1 (0.79) | TBXAS1 | |
| SCHEMBL11432172 | 0.82 | QPCT (0.49) | ALDH1A1CYP3A4MAPTTDP1MEN1 |
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-0009683-B1 | BASIC PHENYL ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION OF THESE ETHERS AND COMPOSITIONS | MERCK PATENT GmbH (DE) | 1983-08-10 | — | — | EP | disclosed |
| EP-0009683-A1 | Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions | MERCK PATENT GmbH (DE) | 1980-04-16 | — | — | EP | disclosed |