Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065812 | 0.83 | PRKDC (0.46) | PRKDCKDM4EL3MBTL1ELANELMNA | |
| SCHEMBL6002813 | 0.79 | PRKDC (0.46) | HPGDPRKDCRAB9ANPC1CYP1A2 | |
| SCHEMBL4877798 | 0.76 | HPGD (0.44) | HPGDPRKDCSMN1; SMN2KDM4EATM | |
| SCHEMBL24988962 | 0.75 | ERN1 (0.44) | HPGDPRKDCKDM4EATML3MBTL1 | |
| SCHEMBL17065822 | 0.73 | ACHE (0.47) | RAB9ACYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL29139355 | 0.73 | RAB9A (0.47) | HPGDPRKDCRAB9ANPC1CYP1A2 | |
| SCHEMBL9257801 | 0.72 | KDM4E (0.39) | HPGDPRKDCHTTKDM4EATM | |
| SCHEMBL9255869 | 0.72 | PRKDC (0.41) | HPGDPRKDCHTTCRHBPCRHR2 | |
| SCHEMBL3602624 | 0.70 | HTR6 (0.69) | HPGDPRKDCHTTSMN1; SMN2KDM4E | |
| SCHEMBL17065823 | 0.70 | NPSR1 (0.44) | HPGDRAB9ANPC1CYP1A2CYP3A4 |
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 |