Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.47 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | APP | P05067 | 4/20 | 0.43 |
| ▸ | SNCA | P37840 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | RARA | P10276 | 6/20 | 0.41 |
| ▸ | RARB | P10826 | 6/20 | 0.41 |
| ▸ | RARG | P13631 | 6/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4105308 | 0.83 | CYP1A2 (0.53) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL4447818 | 0.80 | CYP1A2 (0.55) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| Cyclocitral SCHEMBL309759 | 0.78 | CYP1A2 (0.58) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL9580608 | 0.78 | CYP1A2 (0.53) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL25118490 | 0.77 | CYP1A2 (0.61) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL11070445 | 0.76 | CYP1A2 (0.56) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL11070449 | 0.76 | CYP1A2 (0.56) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL9955182 | 0.75 | CYP1A2 (0.50) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL14566306 | 0.75 | CYP1A2 (0.59) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL9955185 | 0.75 | CYP1A2 (0.50) | CYP1A2ALDH1A1PTGS1LMNADRD3 |
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-2018091624-A1 | NOVEL USE OF PHENYL PHOSPHINIC ACID | DSM IP ASSETS B.V. (NL) | 2018-05-24 | — | — | WO | disclosed |