Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 3/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.38 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8464788 | 0.86 | AKR1B1 (0.54) | AKR1B1TDP1PTGS2CXCL8TTR | |
| SCHEMBL8462544 | 0.81 | HMGB1 (0.38) | ALBKDM4EHPGD | |
| SCHEMBL8461331 | 0.79 | AKR1B1 (0.32) | AKR1B1TDP1KDM4EMAPTHPGD | |
| SCHEMBL8461130 | 0.75 | AKR1B1 (0.46) | AKR1B1TDP1PTGS2CXCL8TTR | |
| SCHEMBL8464218 | 0.74 | TTR (0.34) | PTGS2TTRCYP1A2 | |
| SCHEMBL8523178 | 0.74 | AKR1B1 (0.42) | AKR1B1TDP1PTGS2CXCL8TTR | |
| SCHEMBL8461037 | 0.70 | INPPL1 (0.44) | KDM4EHPGD | |
| SCHEMBL8463501 | 0.68 | AKR1B1 (0.36) | AKR1B1TDP1CXCL8KDM4ECYP1A2 | |
| SCHEMBL8461777 | 0.68 | PTGS1 (0.57) | AKR1B1TDP1PTGS1KDM4EMMP1 | |
| SCHEMBL8460830 | 0.68 | CXCL8 (0.43) | AKR1B1TDP1PTGS2CXCL8FABP4 |
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 |