Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6252379 | 0.80 | ALDH1A1 (0.36) | MAPTALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL28327160 | 0.74 | TDP1 (0.42) | MAPTALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL10468315 | 0.74 | MAPT (0.33) | MAPTALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL10778388 | 0.74 | ALDH1A1 (0.37) | MAPTALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL865959 | 0.72 | ALDH1A1 (0.42) | MAPTALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL134429 | 0.72 | ALDH1A1 (0.40) | MAPTALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL1287162 | 0.70 | ERBB2 (0.39) | AKT1MAPTALDH1A1HPGDKDM4E | |
| SCHEMBL2257187 | 0.70 | ALDH1A1 (0.44) | MAPTALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL28198484 | 0.70 | ALDH1A1 (0.41) | MAPTALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL8627025 | 0.68 | ERBB2 (0.38) | MAPTALDH1A1HPGDKDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1101044-A | 2-(3-oxoalk(en)yl)-3-isothiazolones and derivatives as antimicrobial agents | ROHM & HAAS (US) | 1995-04-05 | — | — | CN | disclosed |
| EP-0630891-A1 | 3-Isothiazolones derivatives and their use as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-12-28 | — | — | EP | disclosed |
| US-5321141-A | Reacting an isothiazole with an a,b-unsaturated ketone or aldehyde | ROHM AND HAAS COMPANY (US) | 1994-06-14 | — | — | US | disclosed |
| US-5288693-A | Microbiocides | ROHM AND HAAS COMPANY (US) | 1994-02-22 | — | — | US | disclosed |