Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 4/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8462622 | 0.82 | AKR1C3 (0.57) | AKR1C4AKR1C3AKR1C2AKR1C1CA12 | |
| SCHEMBL8462984 | 0.78 | CA12 (0.50) | TTRTPMTCA12CA1CA2 | |
| SCHEMBL8464717 | 0.77 | KDM4E (0.39) | TTRTPMTAKR1C2AKR1C1CA12 | |
| SCHEMBL8461303 | 0.77 | TPMT (0.52) | TTRTPMTAKR1C3AKR1C2CA12 | |
| SCHEMBL8464696 | 0.77 | TPMT (0.43) | TTRTPMTAKR1C3AKR1C2CA12 | |
| SCHEMBL8462618 | 0.77 | TTR (0.50) | TTRTPMTAKR1C4AKR1C3AKR1C2 | |
| SCHEMBL8464012 | 0.75 | AKR1C3 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1CA12 | |
| SCHEMBL6431790 | 0.75 | TTR (0.58) | TTRTPMTAKR1C4AKR1C3AKR1C2 | |
| SCHEMBL6059478 | 0.74 | TTR (0.56) | TTRTPMTAKR1C4AKR1C3AKR1C2 | |
| SCHEMBL8462552 | 0.73 | CA12 (0.55) | TTRTPMTCA12CA1CA2 |
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 |