Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11931998 | 0.90 | HRH3 (0.39) | HRH3HTR4ALDH1A1SMN1; SMN2SRC | |
| SCHEMBL21023408 | 0.89 | ADORA3 (0.41) | HRH3HTR4ALDH1A1SMN1; SMN2SRC | |
| SCHEMBL7368048 | 0.75 | KDM4E (0.43) | ALDH1A1SMN1; SMN2KDM4ECYP2D6CHRM2 | |
| SCHEMBL13936980 | 0.74 | KMO (0.39) | — | |
| SCHEMBL4514195 | 0.73 | ADORA3 (0.48) | — | |
| SCHEMBL4511334 | 0.69 | ADORA3 (0.49) | KDM4E | |
| SCHEMBL4503508 | 0.67 | L3MBTL1 (0.49) | SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL8135050 | 0.67 | SMN1; SMN2 (0.45) | HRH3HTR4ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8142966 | 0.66 | HRH3 (0.39) | HRH3HTR4ALDH1A1SMN1; SMN2SRC | |
| SCHEMBL8147315 | 0.66 | SMN1; SMN2 (0.43) | HRH3ALDH1A1SMN1; SMN2KDM4EABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006073-A1 | PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-01-13 | — | — | WO | disclosed |