Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2013681 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP19A1CYP3A4 | |
| SCHEMBL219410 | 0.84 | CYP19A1 (0.55) | ALDH1A1TSHRCYP19A1CYP3A4ACP1 | |
| SCHEMBL204235 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRCYP19A1CYP3A4 | |
| SCHEMBL1026447 | 0.84 | CYP19A1 (0.62) | ALDH1A1TSHRCYP19A1CYP3A4ACP1 | |
| SCHEMBL1943699 | 0.84 | CYP19A1 (0.62) | ALDH1A1TDP1TSHRCYP19A1CYP3A4 | |
| Chlorobenzene SCHEMBL27337913 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRCYP19A1HSD17B10 | |
| Benzene SCHEMBL27733872 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRCYP19A1CYP3A4 | |
| Nitrogen SCHEMBL9840130 | 0.79 | CYP19A1 (0.56) | ALDH1A1TDP1TSHRCYP19A1CYP3A4 | |
| Nitrogen SCHEMBL27917117 | 0.79 | CYP19A1 (0.56) | ALDH1A1TSHRCYP19A1CYP3A4ACP1 | |
| Benzene SCHEMBL27782128 | 0.79 | CYP19A1 (0.56) | ALDH1A1TSHRCYP19A1CYP3A4ACP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023060173-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF USE | AQUINNAH PHARMACEUTICALS, INC. (US) | 2023-04-13 | — | — | WO | disclosed |