Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.55 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.55 |
| ▸ | FDPS | P14324 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 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 | |
|---|---|---|---|---|
| SCHEMBL1425341 | 0.91 | ALDH1A1 (0.62) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL15952047 | 0.90 | ALDH1A1 (0.57) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL19389647 | 0.88 | ALDH1A1 (0.59) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL14147477 | 0.88 | ALDH1A1 (0.59) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL14787812 | 0.88 | ALDH1A1 (0.68) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL1425314 | 0.86 | ALDH1A1 (0.60) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL27262670 | 0.85 | ALDH1A1 (0.51) | ALDH1A1AOX1FDPSHPGDMAPT | |
| SCHEMBL5216212 | 0.85 | ALDH1A1 (0.58) | ALDH1A1AOX1FDPSHPGDCYP2C9 | |
| SCHEMBL14953129 | 0.84 | ALDH1A1 (0.57) | ALDH1A1AOX1FDPSHPGDTDP1 | |
| SCHEMBL3842399 | 0.84 | ALDH1A1 (0.57) | ALDH1A1AOX1FDPSHPGDTDP1 |
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-3135110-B1 | 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME | TRIOPTOTEC GMBH (DE) | 2019-07-10 | — | — | EP | disclosed |