Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8463501 | 0.77 | AKR1B1 (0.36) | AKR1B1CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8464249 | 0.76 | AKR1B1 (0.33) | AKR1B1MEN1KMT2A | |
| SCHEMBL8462430 | 0.75 | AKR1B1 (0.40) | AKR1B1CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8463402 | 0.73 | CXCL8 (0.34) | AKR1B1CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8460791 | 0.73 | ALOX15 (0.41) | AKR1B1CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8464185 | 0.73 | TPMT (0.33) | TPMTAKR1B1CYP1A2 | |
| SCHEMBL8460430 | 0.73 | AKR1B1 (0.42) | AKR1B1 | |
| SCHEMBL8462638 | 0.73 | AKR1B1 (0.33) | AKR1B1CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8463742 | 0.72 | CYP1A2 (0.47) | CYP1A2MEN1ALDH1A1KMT2A | |
| SCHEMBL14873536 | 0.71 | AKR1B1 (0.44) | TPMTAKR1B1CYP1A2MEN1ALDH1A1 |
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 |