Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.49 |
| ▸ | HTR2C | P28335 | 8/20 | 0.49 |
| ▸ | HTR2B | P41595 | 8/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL4050281 | 0.87 | HDAC1 (0.49) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL14473195 | 0.86 | HTR2A (0.67) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL12735193 | 0.85 | HTR2A (0.47) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL28942333 | 0.78 | HTR2A (0.65) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL29803467 | 0.77 | NOTUM (0.40) | HTR2AHTR2CHTR2BNOTUMACHE | |
| SCHEMBL107921 | 0.77 | NOTUM (0.40) | HTR2AHTR2CHTR2BNOTUMACHE | |
| Ammonia Solution, Strong SCHEMBL906017 | 0.77 | HTR2A (0.63) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL20651648 | 0.76 | HDAC1 (0.36) | HTR2AHTR2CHTR2BHDAC1HDAC6 | |
| SCHEMBL21469192 | 0.76 | SMN1; SMN2 (0.48) | CYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL9480957 | 0.76 | DRD2 (0.40) | HTR2AHTR2CHTR2BNOTUMACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |