Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL754038 | 0.80 | PNMT (0.47) | PNMTTAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL751699 | 0.79 | TAAR1 (0.43) | TAAR1IDO1AGXTRIPK1 | |
| SCHEMBL755099 | 0.77 | SLC6A2 (0.45) | TAAR1CYP3A4IDO1 | |
| SCHEMBL750559 | 0.77 | SMN1; SMN2 (0.42) | TAAR1ALOX12 | |
| SCHEMBL6985125 | 0.72 | PNMT (0.56) | PNMTTAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL94761 | 0.72 | — | — | |
| SCHEMBL73643 | 0.71 | PNMT (0.54) | PNMTTAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL10451551 | 0.71 | PNMT (0.54) | PNMTTAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL8370549 | 0.71 | PNMT (0.54) | PNMTTAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL29581044 | 0.71 | PNMT (0.54) | PNMTTAAR1HTR3EHTR3BHTR3A |
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-2213166-B1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GMBH (DE) | 2012-03-21 | — | — | EP | claimed |