Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 SCHEMBL28287191 | 0.98 | CYP2D6 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL27463133 | 0.88 | TAAR1 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL18705702 | 0.85 | HTR2A (0.30) | — | |
| SCHEMBL18951868 | 0.78 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27610611 | 0.78 | — | — | |
| SCHEMBL30177823 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL10700620 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL22770584 | 0.77 | CYP2D6 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Thiourea SCHEMBL10887707 | 0.76 | — | — | |
| SCHEMBL30309468 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106536489-B | Retinoid-related orphan receptor gamma modulators and uses thereof | 葛兰素史密斯克莱知识产权发展有限公司 | 2020-02-07 | — | — | CN | disclosed |
| CN-103864770-B | Aminopyrimidine and pyridyl amine inhibitor as Hedgehog signal transduction | 江苏先声药业有限公司 | 2019-06-11 | — | — | CN | disclosed |
| EP-3148975-A1 | NOVEL COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015180612-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2015-12-03 | — | — | WO | disclosed |