Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ACP1 | P24666 | 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 | |
|---|---|---|---|---|
| SCHEMBL14283527 | 0.79 | CYP1A2 (0.50) | NPC1RAB9ATSHRTDP1ALDH1A1 | |
| SCHEMBL8584659 | 0.79 | CYP2A6 (0.41) | MAPTNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL23457936 | 0.78 | ELANE (0.41) | MAPTNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL29862150 | 0.78 | ELANE (0.41) | MAPTNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL11347674 | 0.76 | L3MBTL1 (0.43) | TSHRALDH1A1CYP2A6HSD17B10ELANE | |
| SCHEMBL29862563 | 0.75 | CYP1A2 (0.38) | MAPTNPC1TSHRTDP1ALDH1A1 | |
| SCHEMBL23457995 | 0.75 | SMN1; SMN2 (0.38) | MAPTNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL23458213 | 0.75 | CYP1A2 (0.38) | MAPTNPC1TSHRTDP1ALDH1A1 | |
| SCHEMBL2203473 | 0.74 | NPC1 (0.48) | MAPTNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL17065837 | 0.74 | CRHR1 (0.42) | MAPTNPC1RAB9ATDP1ALDH1A1 |
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 |