Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24117680 | 0.85 | ALDH1A1 (0.33) | ALDH1A1DPP4 | |
| SCHEMBL18907729 | 0.80 | RIPK1 (0.39) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL11068899 | 0.80 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL14227383 | 0.78 | ALDH1A1 (0.34) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL5586172 | 0.77 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL1231260 | 0.77 | ALDH1A1 (0.46) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL12438752 | 0.75 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL313041 | 0.75 | CTSK (0.44) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8586908 | 0.75 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10015681 | 0.75 | — | — |
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-0789701-B1 | SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS | JANSSEN PHARMACEUTICA NV (BE) | 2001-02-07 | — | — | EP | disclosed |
| US-5552399-A | TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-09-03 | — | — | US | disclosed |