Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL163610 | 0.81 | CA1 (0.59) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL8460969 | 0.79 | GPR35 (0.40) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL596197 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL5872953 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL29178253 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| Lithium SCHEMBL30876345 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL3427286 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL1498023 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL22206251 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL28398701 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1CA12CA7 |
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 |