Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1243178 | 0.87 | STS (0.51) | CYP3A4STSESR1CISD1POLB | |
| SCHEMBL29812596 | 0.87 | STS (0.51) | CYP3A4STSESR1CISD1POLB | |
| SCHEMBL30526132 | 0.80 | STS (0.46) | CYP3A4STSESR1CISD1POLB | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL20593450 | 0.80 | ESR1 (0.59) | CYP3A4ESR1POLBESR2LMNA | |
| Naphthalene SCHEMBL10357718 | 0.80 | STS (0.50) | CYP3A4STSESR1CISD1ESR2 | |
| SCHEMBL9477894 | 0.78 | CYP3A4 (0.50) | CYP3A4STSESR1ESR2CHRNB2 | |
| SCHEMBL27841087 | 0.78 | CYP3A4 (0.46) | CYP3A4STSESR1ESR2CHRNB2 | |
| Resorcinol SCHEMBL10782566 | 0.77 | ALDH1A1 (0.57) | CYP3A4ESR1CA5ALMNA | |
| Resorcinol SCHEMBL7140926 | 0.77 | ALDH1A1 (0.57) | CYP3A4ESR1CA5ALMNA | |
| SCHEMBL9664445 | 0.75 | CA1 (0.60) | STSCISD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108603859-A | Method for diagnosing disease using metabolites in urine | 株式会社日立制作所 | 2018-09-28 | — | — | CN | disclosed |