Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | TPMT | P51580 | 3/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 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 |
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 | 0.82 | AKR1C4 (0.57) | TSHRTPMTSRD5A2ALDH1A1TP53 | |
| SCHEMBL8462984 | 0.78 | CA12 (0.50) | TTRTSHRTPMTALDH1A1TP53 | |
| SCHEMBL8461176 | 0.77 | TTR (0.50) | TTRTSHRTPMTALDH1A1TP53 | |
| SCHEMBL8461303 | 0.77 | TPMT (0.52) | TTRTSHRTPMTALDH1A1TP53 | |
| SCHEMBL8464696 | 0.77 | TPMT (0.43) | TTRTSHRTPMTALDH1A1SMN1; SMN2 | |
| SCHEMBL8464717 | 0.77 | KDM4E (0.39) | TTRTSHRTPMTALDH1A1TP53 | |
| SCHEMBL8461449 | 0.75 | AKR1C4 (0.52) | TSHRTPMTALDH1A1TP53CASP1 | |
| SCHEMBL3769878 | 0.75 | TTR (0.58) | TTRTSHRTPMTSRD5A2PLAU | |
| SCHEMBL10770976 | 0.74 | TTR (0.56) | TTRTSHRTPMTSRD5A2PLAU | |
| SCHEMBL8462552 | 0.73 | CA12 (0.55) | TTRTSHRTPMTALDH1A1CA12 |
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 |