Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL8464506 | 0.90 | AKR1C4 (0.57) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL8460400 | 0.79 | CA1 (0.46) | CYP3A4ALDH1A1HSD17B10HPGDCA1 | |
| SCHEMBL8460863 | 0.77 | PTPRC (0.39) | ALDH1A1TP53HSD17B10CA1CA2 | |
| SCHEMBL8464012 | 0.77 | AKR1C3 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL8462420 | 0.77 | KEAP1 (0.45) | AKR1C2AKR1C1ALDH1A1HSD17B10HPGD | |
| SCHEMBL8463268 | 0.77 | KDM4E (0.50) | ALDH1A1TPMTKDM4ENOTUMHCAR1 | |
| SCHEMBL1614777 | 0.75 | CYP3A4 (0.71) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL8462618 | 0.75 | TTR (0.50) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL8464742 | 0.74 | AKR1C3 (0.42) | AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8461216 | 0.74 | ALDH1A1 (0.37) | AKR1C4AKR1C3AKR1C2AKR1C1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0745326-B1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5594017-A | WITH AN IODOSYL OR IODYL COMPOUND | ROHM AND HAAS COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0745326-A1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM AND HAAS COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |