Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 5/20 | 0.39 |
| ▸ | RNPEP | Q9H4A4 | 4/20 | 0.39 |
| ▸ | DNPEP | Q9ULA0 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LAP3 | P28838 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL667964 | 0.84 | — | — | |
| SCHEMBL4946238 | 0.75 | — | — | |
| SCHEMBL10016137 | 0.74 | — | — | |
| SCHEMBL4953576 | 0.71 | — | — | |
| SCHEMBL6720432 | 0.71 | CYP2D6 (0.52) | CYP2D6CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL10141101 | 0.70 | CYP2D6 (0.50) | CYP2D6CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL1966628 | 0.69 | CYP2D6 (0.45) | CYP2D6CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL1923786 | 0.69 | — | — | |
| SCHEMBL1756668 | 0.69 | — | — | |
| SCHEMBL13268513 | 0.69 | — | — |
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-0981959-B1 | Stable 3-isothiazolone compositions | ROHM & HAAS (US) | 2002-10-30 | — | — | EP | claimed |