Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25432807 | 0.80 | PTPN22 (0.47) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1239327 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL30361992 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL2673037 | 0.79 | NISCH (0.42) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL29780505 | 0.79 | NISCH (0.42) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL13319521 | 0.76 | POLB (0.44) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL14770894 | 0.76 | MAPT (0.66) | ALDH1A1HSD17B10MAPTHIF1AKDM4E | |
| SCHEMBL28461513 | 0.75 | CSF1R (0.34) | CSF1R | |
| SCHEMBL2935302 | 0.73 | AHR (0.41) | CYP2A6PARP1CSF1R | |
| SCHEMBL18320175 | 0.72 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |