Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3937674 | 0.75 | RAB9A (0.47) | ALDH1A1CYP2A6BACE1KMT2APOLB | |
| SCHEMBL1663786 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1KMT2A | |
| SCHEMBL228003 | 0.74 | CYP1A1 (0.64) | ALDH1A1CYP2A6CYP1A1CYP1B1KMT2A | |
| Water SCHEMBL28227114 | 0.72 | CYP1A1 (0.61) | ALDH1A1CYP2A6CYP1A1CYP1B1KMT2A | |
| SCHEMBL29958196 | 0.71 | CYP1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1BACE1 | |
| SCHEMBL378297 | 0.71 | CYP1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1BACE1 | |
| SCHEMBL7464838 | 0.70 | KMT2A (0.42) | ALDH1A1BACE1KMT2APOLBNPC1 | |
| SCHEMBL17857809 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP2A6CYP1A1CYP1B1BACE1 | |
| Formic Acid Methyl Ester SCHEMBL28071788 | 0.69 | CYP1A1 (0.56) | ALDH1A1CYP2A6CYP1A1CYP1B1KMT2A | |
| SCHEMBL31371149 | 0.68 | ALDH1A1 (0.55) | ALDH1A1CYP2A6BACE1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2928869-B1 | 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | CHIESI FARM SPA (IT) | 2019-02-20 | — | — | EP | disclosed |