Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8462622 | 0.75 | AKR1C3 (0.57) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL8462656 | 0.74 | ALDH1A1 (0.39) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL8464393 | 0.74 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTMEN1CYP1A2 | |
| SCHEMBL8462798 | 0.72 | CYP3A4 (0.37) | ALDH1A1LMNAMEN1PTGS1MAPK1 | |
| SCHEMBL8463923 | 0.72 | KDM4E (0.36) | ALDH1A1LMNAMAPTMEN1LCK | |
| SCHEMBL8463965 | 0.71 | CES2 (0.38) | ALDH1A1MAPTMEN1CYP1A2KMT2A | |
| SCHEMBL8460365 | 0.71 | SMN1; SMN2 (0.36) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL8464497 | 0.71 | POLB (0.35) | POLB | |
| SCHEMBL8464421 | 0.68 | POLB (0.37) | ALDH1A1LMNAMAPTMEN1MAPK1 | |
| SCHEMBL8462316 | 0.67 | CASP6 (0.33) | LCK |
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 |