Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17065819 | 0.81 | KMT2A (0.47) | MEN1KMT2ATSHRCYP1A2NPC1 | |
| SCHEMBL17065837 | 0.75 | CRHR1 (0.42) | MEN1KMT2ACLK1MAPK1CYP1A2 | |
| SCHEMBL17065826 | 0.74 | KDM4E (0.43) | RXFP1ACHEBCHE | |
| SCHEMBL13728488 | 0.72 | ERAP1 (0.51) | DYRK1AMEN1KMT2ARXFP1CLK1 | |
| SCHEMBL13729795 | 0.72 | SMN1; SMN2 (0.50) | CALM1CAMKK2DYRK1AMEN1KMT2A | |
| SCHEMBL1359254 | 0.68 | MAOB (0.50) | CYP1A2CYP2A6 | |
| SCHEMBL9939707 | 0.68 | ALOX5 (0.56) | MEN1KMT2ANPC1RAB9AACHE | |
| SCHEMBL11680743 | 0.68 | TSHR (0.50) | CALM1CAMKK2MAPK1TSHR | |
| SCHEMBL15266968 | 0.68 | CYP1A2 (0.48) | DYRK1AMEN1KMT2ACLK1CYP1A2 | |
| SCHEMBL14266667 | 0.68 | TSHR (0.57) | MAPK1TSHRACHE |
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 |