Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | POR | P16435 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21442484 | 0.61 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL10056208 | 0.61 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL9925889 | 0.61 | ACHE (0.50) | ALDH1A1 | |
| SCHEMBL862533 | 0.58 | — | — | |
| SCHEMBL14640154 | 0.58 | CA12 (0.52) | ALDH1A1 | |
| SCHEMBL2966274 | 0.58 | ALDH1A1 (0.33) | NQO1PORALDH1A1 | |
| SCHEMBL10064152 | 0.58 | — | — | |
| SCHEMBL170471 | 0.57 | — | — | |
| SCHEMBL14781240 | 0.57 | KDM4E (0.46) | ALDH1A1 | |
| SCHEMBL24037832 | 0.56 | SCN5A (0.38) | — |
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-2013025733-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. (US) | 2013-02-21 | — | — | WO | disclosed |