Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065825 | 0.83 | ATM (0.40) | KMT2APDE5AALDH1A1TSHRPIM1 | |
| SCHEMBL17065824 | 0.81 | CALM1 (0.43) | KMT2ATSHRCYP1A2NPC1RAB9A | |
| SCHEMBL17065827 | 0.76 | PIM1 (0.40) | KMT2APDE5AHTR1DHTR1BALDH1A1 | |
| SCHEMBL17065826 | 0.74 | KDM4E (0.43) | PDE5AHTR1DHTR1BALDH1A1PIM1 | |
| SCHEMBL17065828 | 0.73 | MAPT (0.41) | KMT2AALDH1A1TSHRLMNASMN1; SMN2 | |
| SCHEMBL30966945 | 0.73 | SIGMAR1 (0.50) | KMT2APDE5AHTR1DHTR1BALDH1A1 | |
| SCHEMBL2865598 | 0.73 | SIGMAR1 (0.50) | KMT2APDE5AHTR1DHTR1BALDH1A1 | |
| SCHEMBL6241448 | 0.70 | RXRA (0.45) | KMT2AALDH1A1PSEN1PSEN2APH1B | |
| SCHEMBL9379285 | 0.68 | PDE5A (0.52) | KMT2APDE5AHTR1DHTR1BALDH1A1 | |
| SCHEMBL5784014 | 0.65 | NR1H2 (0.54) | KMT2AALDH1A1TSHRPIM1AOC3 |
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 |