Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065824 | 0.75 | CALM1 (0.43) | MEN1KMT2ACYP1A2CYP2A6MAPK1 | |
| SCHEMBL15266968 | 0.74 | CYP1A2 (0.48) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL5752191 | 0.74 | CYP2A6 (0.48) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL5337507 | 0.72 | TUBB4A (0.50) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL8589628 | 0.72 | MTNR1A (0.48) | KDM4EMEN1KMT2ACYP1A2L3MBTL1 | |
| SCHEMBL27902298 | 0.72 | CYP2A6 (0.65) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL3137389 | 0.70 | CYP2A6 (0.62) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL12277498 | 0.70 | CYP2A6 (0.62) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL12259995 | 0.70 | CYP2A6 (0.62) | KDM4EMEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL17684970 | 0.69 | CYP2A6 (0.56) | KDM4EMAPTCYP1A2CYP2A6L3MBTL1 |
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 |