Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAN2A1 | Q16706 | 1/20 | 0.39 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5372125 | 0.72 | GAA (0.49) | CYP2D6HIF1AKDM4ELMNACYP1A2 | |
| SCHEMBL4447736 | 0.72 | SIGMAR1 (0.38) | CYP2D6 | |
| SCHEMBL248773 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| SCHEMBL19725368 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| Hydrogen Peroxide SCHEMBL10892167 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| SCHEMBL23626333 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| SCHEMBL17113746 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| SCHEMBL611639 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| SCHEMBL8889599 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A | |
| SCHEMBL17086641 | 0.69 | LMNA (0.52) | CYP2D6HIF1AADRA2CKDM4EADRA2A |
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-1841742-A1 | 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY | Allergan, Inc. (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006081276-A1 | 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY | ALLERGAN, INC. (US) | 2006-08-03 | — | — | WO | disclosed |