Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9258086 | 1.00 | ALDH1A1 (0.54) | ALDH1A1TGM2FFAR1CYP1A2NPSR1 | |
| SCHEMBL9256850 | 0.95 | FFAR1 (0.54) | ALDH1A1TGM2FFAR1DEGS1CA12 | |
| SCHEMBL9256847 | 0.95 | FFAR1 (0.54) | ALDH1A1TGM2FFAR1DEGS1CA12 | |
| SCHEMBL9260712 | 0.80 | NPC1 (0.60) | ALDH1A1TGM2NPSR1DEGS1EGFR | |
| SCHEMBL9260709 | 0.80 | NPC1 (0.60) | ALDH1A1TGM2NPSR1DEGS1EGFR | |
| SCHEMBL10949923 | 0.79 | FFAR1 (0.56) | ALDH1A1TGM2FFAR1NPSR1DEGS1 | |
| SCHEMBL11839691 | 0.74 | NAPRT (0.52) | TGM2CYP1A2NPSR1DEGS1MAOB | |
| SCHEMBL3659389 | 0.74 | FFAR1 (0.79) | ALDH1A1FFAR1KMT2AMEN1PTPN1 | |
| SCHEMBL1019968 | 0.74 | EPHX2 (0.74) | ALDH1A1FFAR1MAOBMAOAKMT2A | |
| SCHEMBL10954608 | 0.73 | NPC1 (0.55) | ALDH1A1TGM2FFAR1NPSR1DEGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5411977-A | Substituted 2,5-diaryl-4-isothiazolin-3-ones as antiinflammatory and antithrombotic agents | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |