Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11289526 | 0.82 | TRPA1 (0.42) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL23935701 | 0.81 | PLK1 (0.42) | GAAALDH1A1MAPTTRPA1PLK1 | |
| SCHEMBL26665309 | 0.80 | TRPA1 (0.41) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL20404831 | 0.78 | CASP1 (0.40) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL2387646 | 0.74 | ALDH1A1 (0.64) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL21337814 | 0.73 | TRPA1 (0.35) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL1685286 | 0.73 | ALDH1A1 (0.52) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8830144 | 0.73 | ALDH1A1 (0.42) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL51624 | 0.72 | PLK1 (0.49) | GAAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL9559795 | 0.71 | HSP90AB1 (0.46) | GAAALDH1A1KDM4EMAPTHPGD |
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-3327004-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM CORP (JP) | 2020-11-04 | — | — | EP | disclosed |
| EP-3327004-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Fujifilm Corporation (JP) | 2018-05-30 | — | — | EP | disclosed |