Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MYC | P01106 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.36 |
| ▸ | CTH | P32929 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8464513 | 0.82 | KDM4E (0.55) | TPMTALDH1A1HCAR1TTRNOTUM | |
| SCHEMBL8462984 | 0.78 | CA12 (0.50) | TPMTTSHRALDH1A1HCAR1TTR | |
| SCHEMBL8461303 | 0.77 | TPMT (0.52) | TPMTTSHRALDH1A1HCAR1TTR | |
| SCHEMBL8464717 | 0.77 | KDM4E (0.39) | TPMTTSHRALDH1A1HCAR1TTR | |
| SCHEMBL8461176 | 0.77 | TTR (0.50) | TPMTTSHRALDH1A1TTRKDM4E | |
| SCHEMBL8462618 | 0.77 | TTR (0.50) | TPMTTSHRALDH1A1HCAR1TTR | |
| SCHEMBL8462552 | 0.77 | CA12 (0.55) | TPMTTSHRALDH1A1TTRKDM4E | |
| SCHEMBL2565865 | 0.77 | SMN1; SMN2 (0.42) | TSHRALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL8464742 | 0.76 | AKR1C3 (0.42) | AKR1C3AKR1C2 | |
| SCHEMBL71249 | 0.75 | TPMT (0.50) | TPMTTSHRALDH1A1HCAR1TTR |
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 |