Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL753864 | 0.78 | TAAR1 (0.42) | ALDH1A1IDO1TAAR1HPGDTSHR | |
| SCHEMBL753826 | 0.77 | GGPS1 (0.53) | ALDH1A1IDO1MAPTNPC1HPGD | |
| SCHEMBL753876 | 0.76 | MEN1 (0.41) | ALDH1A1TAAR1HPGDKMT2ATSHR | |
| SCHEMBL8525795 | 0.72 | IDO1 (0.52) | IDO1PNMTTAAR1NPC1RAB9A | |
| SCHEMBL20583955 | 0.70 | IDO1 (0.56) | IDO1PNMTTAAR1NPC1RAB9A | |
| SCHEMBL73408 | 0.70 | IDO1 (0.50) | IDO1PNMTTAAR1NPC1RAB9A | |
| SCHEMBL1194386 | 0.70 | ALDH1A1 (0.56) | ALDH1A1IDO1PNMTKDM4EMAPT | |
| SCHEMBL6265284 | 0.70 | IDO1 (0.50) | IDO1PNMTTAAR1NPC1RAB9A | |
| SCHEMBL5963 | 0.68 | ALDH1A1 (0.55) | ALDH1A1IDO1PNMTKDM4EMAPT | |
| SCHEMBL3028541 | 0.68 | ALDH1A1 (0.55) | ALDH1A1IDO1PNMTKDM4EMAPT |
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 |