Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL16422597 | 0.82 | CYP2A6 (0.49) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL16595201 | 0.74 | PIM1 (0.55) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL7976562 | 0.72 | CYP26A1 (0.46) | PIM1CA12CA1CA2CA9 | |
| SCHEMBL16595207 | 0.70 | PIM1 (0.47) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL3850246 | 0.69 | PIM1 (0.45) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL3928306 | 0.69 | CYP2A6 (0.53) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL29608860 | 0.69 | CYP2A6 (0.53) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL30443494 | 0.68 | MAOB (0.40) | CYP2A6PIM1CA12CA1CA2 | |
| SCHEMBL14231754 | 0.68 | NPC1 (0.61) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL16426150 | 0.68 | CYP2A6 (0.57) | CYP2A6PIM1GRIN1GRIN2AGRIN2B |
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-2001090105-A1 | ISOTHIAZOLES AS PESTICIDES | SYNGENTA LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |