Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.65 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.65 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.65 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8055394 | 0.91 | HTR1A (0.71) | HTR1AADRA1DADRA1AADRA1BADRB2 | |
| SCHEMBL11695538 | 0.84 | DRD2 (0.72) | HTR1AADRA1DADRA1AADRA1BADRB2 | |
| Hydrochloric Acid SCHEMBL8042176 | 0.84 | DRD2 (0.70) | HTR1AADRA1DADRA1AADRA1BCYP1A2 | |
| Hydrochloric Acid SCHEMBL8042289 | 0.83 | DRD2 (0.70) | HTR1AADRA1DADRA1AADRA1BADRB2 | |
| SCHEMBL11601409 | 0.82 | KDM4E (0.64) | HTR1AADRA1DADRA1AADRA1BADRB2 | |
| SCHEMBL11691183 | 0.81 | DRD2 (0.76) | HTR1AADRA1DADRA1AADRA1BADRB2 | |
| Hydrochloric Acid SCHEMBL8042191 | 0.81 | DRD2 (0.67) | HTR1AADRA1DADRA1AADRA1BCYP1A2 | |
| SCHEMBL11693963 | 0.81 | L3MBTL1 (0.74) | HTR1AADRA1DADRA1AADRA1BADRB2 | |
| Hydrochloric Acid SCHEMBL8055380 | 0.80 | HTR1A (0.69) | HTR1AADRA1DADRA1AADRA1BDRD2 | |
| Hydrochloric Acid SCHEMBL11691891 | 0.80 | L3MBTL1 (0.72) | HTR1AADRA1DADRA1AADRA1BADRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2428207-A1 | Alpha-2B adrenergic receptor agonist and serotonin-norepinephrine reuptake inhibitor compositions for treating chronic pain | Allergan, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |