Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 3/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.55 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11447617 | 0.97 | CHRNB4 (0.52) | CHRNB4CHRNA3SLC22A1MLNRNR1I2 | |
| Hydrochloric Acid SCHEMBL8703569 | 0.86 | TP53 (0.49) | CHRNB4CHRNA3SLC22A1MLNRNR1I2 | |
| SCHEMBL14578238 | 0.85 | CHRNB4 (0.61) | CHRNB4CHRNA3SLC22A1MLNRNR1I2 | |
| SCHEMBL11448305 | 0.84 | TDP1 (0.57) | CHRNB4CHRNA3CYP2D6CYP2C19CHRNB2 | |
| SCHEMBL11455709 | 0.84 | CHRNB4 (0.76) | CHRNB4CHRNA3HTR2ACHRNB2CHRNA4 | |
| SCHEMBL11466714 | 0.83 | TSHR (0.55) | CHRNB4CHRNA3SLC22A1MLNRNR1I2 | |
| SCHEMBL11447873 | 0.83 | CHRNB4 (0.55) | CHRNB4CHRNA3CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14578289 | 0.83 | CHRNB4 (0.58) | CHRNB4CHRNA3SLC22A1MLNRNR1I2 | |
| SCHEMBL11448129 | 0.83 | CHRNB4 (0.55) | CHRNB4CHRNA3CHRNB2CHRNA4LMNA | |
| SCHEMBL11449219 | 0.82 | TDP1 (0.58) | CHRNB4CHRNA3ADRA2ACYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4225608-A | ANTIDEPRESSANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-09-30 | — | — | US | disclosed |
| EP-0004288-A2 | Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation | MERCK PATENT GmbH (DE) | 1979-10-03 | — | — | EP | disclosed |