Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30868501 | 1.00 | CYP1A2 (0.30) | CYP1A2POLBCYP2C19 | |
| SCHEMBL7942980 | 0.83 | — | — | |
| SCHEMBL28707628 | 0.81 | CYP1A2 (0.31) | CYP1A2POLBCYP2C19 | |
| SCHEMBL29501792 | 0.81 | CYP1A2 (0.31) | CYP1A2POLBCYP2C19 | |
| SCHEMBL30868554 | 0.73 | MAP3K5 (0.33) | — | |
| SCHEMBL30868252 | 0.73 | MAP3K5 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11540755 | 0.72 | ALDH1A1 (0.32) | CYP1A2POLBCYP2C19 | |
| Hydrochloric Acid SCHEMBL10837729 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL829122 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL4812685 | 0.71 | CYP1A2 (0.30) | CYP1A2POLBCYP2C19 |
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-2024028169-A1 | NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2024-02-08 | — | — | WO | disclosed |