Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.44 |
| ▸ | ITGAL | P20701 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11615106 | 0.88 | CYP3A4 (0.55) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| SCHEMBL11618696 | 0.87 | CYP3A4 (0.47) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL11611215 | 0.87 | CYP3A4 (0.54) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL11617166 | 0.87 | CYP3A4 (0.54) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| SCHEMBL11612637 | 0.85 | HTR1D (0.45) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| SCHEMBL14490956 | 0.82 | CYP3A4 (0.54) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| SCHEMBL31326521 | 0.82 | CYP3A4 (0.54) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| SCHEMBL15834045 | 0.82 | CYP3A4 (0.54) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 | |
| SCHEMBL11612799 | 0.81 | CYP3A4 (0.45) | CYP3A4SLC7A5ALDH1A1NFKB1CPB2 | |
| SCHEMBL12405394 | 0.81 | CYP3A4 (0.53) | CYP3A4SLC7A5ALDH1A1HRH4HRH3 |
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-4103089-A | ANTIHISTAMINES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1978-07-25 | — | — | US | disclosed |