Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HRH1 | P35367 | 4/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14886864 | 0.79 | HTR2A (0.41) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL119104 | 0.79 | HTR2A (0.48) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8926699 | 0.79 | HTR2A (0.48) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL171013 | 0.79 | HTR2A (0.48) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL468997 | 0.77 | NISCH (0.55) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL18378384 | 0.77 | TDP1 (0.50) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1206432 | 0.77 | KDM4E (0.52) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL11706506 | 0.77 | HTR2A (0.64) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| Iodide SCHEMBL10962372 | 0.77 | HTR2A (0.46) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8319820 | 0.77 | HTR2A (0.46) | HTR2AHRH1CHRNB2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5030647-A | Anti-inflammatory thienylbenzylamine compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1991-07-09 | — | — | US | disclosed |