Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065827 | 0.81 | PIM1 (0.40) | KDM4EMAPTHTTPIM1HTR1D | |
| SCHEMBL17065838 | 0.77 | NQO1 (0.40) | KDM4EGAAMAPTACHESMN1; SMN2 | |
| SCHEMBL17065819 | 0.74 | KMT2A (0.47) | KDM4EMAPTHTTPIM1HTR1D | |
| SCHEMBL17065824 | 0.74 | CALM1 (0.43) | RXFP1ACHEBCHE | |
| SCHEMBL5460840 | 0.70 | NQO1 (0.47) | KDM4EMAPTSMN1; SMN2POLBLMNA | |
| SCHEMBL17065825 | 0.68 | ATM (0.40) | KDM4EMAPTHTTPIM1SMN1; SMN2 | |
| SCHEMBL30065634 | 0.66 | ALDH1A1 (0.47) | KDM4EMAPTSMN1; SMN2LMNAHIF1A | |
| SCHEMBL13302148 | 0.66 | PTGES (0.48) | KDM4EMAPTSMN1; SMN2POLBLMNA | |
| SCHEMBL19617285 | 0.66 | ALDH1A1 (0.47) | KDM4EMAPTSMN1; SMN2LMNAHIF1A | |
| SCHEMBL11136125 | 0.66 | KDM4E (0.50) | KDM4EGAAMAPTACHESMN1; SMN2 |
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 |