Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20997879 | 0.80 | CES2 (0.47) | CES2ALDH1A1PTGS1SRD5A2 | |
| SCHEMBL20997897 | 0.77 | CES2 (0.56) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| SCHEMBL1127884 | 0.76 | GAA (0.68) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| SCHEMBL4396979 | 0.76 | CES2 (0.55) | CES2ALDH1A1IDO1PTGS1NPSR1 | |
| SCHEMBL29646460 | 0.76 | GAA (0.68) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| SCHEMBL20997715 | 0.75 | F2 (0.46) | ALDH1A1PTGS1NPSR1LMNAGAA | |
| SCHEMBL20998065 | 0.75 | KDM4E (0.56) | ALDH1A1LMNAGAAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1199080 | 0.75 | GAA (0.67) | CES2ALDH1A1PTGS1NPSR1P2RX1 | |
| Hydrochloric Acid SCHEMBL4400848 | 0.75 | CES2 (0.53) | CES2ALDH1A1IDO1PTGS1NPSR1 | |
| SCHEMBL20998029 | 0.74 | PARP1 (0.48) | ALDH1A1MEN1KMT2APOLB |
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-3483147-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Innocrin Pharmaceuticals, Inc. (US) | 2019-05-15 | — | — | EP | disclosed |