Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22367242 | 0.77 | PARP1 (0.46) | PARP1ALDH1A1LMNAPOLBADORA3 | |
| SCHEMBL22322734 | 0.68 | ALDH1A1 (0.40) | EPHX2ALDH1A1LMNAPOLBADORA3 | |
| SCHEMBL26605078 | 0.65 | ALDH1A1 (0.34) | ALDH1A1POLB | |
| SCHEMBL699878 | 0.65 | CYP1A2 (0.58) | PARP1ALDH1A1PDPK1PARP10PARP11 | |
| SCHEMBL26915147 | 0.65 | HTR2C (0.56) | — | |
| SCHEMBL31244884 | 0.65 | HTR2C (0.56) | — | |
| SCHEMBL11584126 | 0.65 | EPHX2 (0.41) | EPHX2PDE3A | |
| SCHEMBL14192117 | 0.65 | PARP1 (0.42) | PARP1PDPK1PARP10PARP11 | |
| SCHEMBL11738800 | 0.64 | KMT2A (0.43) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL299004 | 0.64 | PARP1 (0.53) | PARP1PDPK1PARP10PARP11 |
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-3700890-A1 | NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-09-02 | — | — | EP | claimed |
| EP-3700890-A1 | NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-09-02 | — | — | EP | disclosed |