Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17861319 | 0.85 | BRD4 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17844943 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19753625 | 0.80 | DRD2 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL17847532 | 0.79 | DRD2 (0.55) | ALDH1A1 | |
| SCHEMBL17844897 | 0.77 | — | — | |
| SCHEMBL17865162 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL19743156 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17847541 | 0.76 | LMNA (0.67) | ALDH1A1RECQLRAB9A | |
| SCHEMBL10032000 | 0.75 | RECQL (0.82) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17845039 | 0.75 | — | — |
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-3233826-A1 | NEW ANTIBACTERIAL COMPOUNDS | Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096631-A1 | NEW ANTIBACTERIAL COMPOUNDS | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) | 2016-06-23 | — | — | WO | disclosed |