Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PRKDC | P78527 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17065822 | 0.86 | ACHE (0.47) | KDM4EALDH1A1CYP1A2RAB9ACASP1 | |
| SCHEMBL17065812 | 0.75 | PRKDC (0.46) | KDM4EALDH1A1PRKDCGAATSHR | |
| SCHEMBL2430853 | 0.74 | ALDH1A1 (0.48) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL16104548 | 0.70 | PRKDC (0.56) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL8273165 | 0.70 | ALDH1A1 (0.63) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL15266968 | 0.70 | CYP1A2 (0.48) | KDM4ECYP1A2CLK1MAPTAPP | |
| SCHEMBL5752191 | 0.70 | CYP2A6 (0.48) | KDM4ECYP1A2RAB9AMAPTKMT2A | |
| SCHEMBL1536606 | 0.69 | ALDH1A1 (0.62) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL1536583 | 0.69 | ALDH1A1 (0.62) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL1536692 | 0.69 | KDM4E (0.62) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 |
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-3113768-A1 | USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS | Universita' Degli Studi Di Pavia (IT) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015132733-A1 | USE OF ARYLALKANOLAMINES AS SIGMA-1 RECEPTOR ANTAGONISTS | UNIVERSITA' DEGLI STUDI DI PAVIA (IT) | 2015-09-11 | — | — | WO | disclosed |