Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL185890 | 0.96 | ALDH1A1 (0.41) | ALDH1A1HSD17B10BCL2L1MAPK1HPGD | |
| SCHEMBL9559797 | 0.91 | PTGS2 (0.39) | BCL2L1PTGS2MEN1MAPTKMT2A | |
| SCHEMBL28716480 | 0.88 | CYP1A2 (0.50) | ALDH1A1CYP2A6CYP1A2PTGS2MEN1 | |
| SCHEMBL9559722 | 0.88 | PTGS2 (0.40) | ALDH1A1HSD17B10BCL2L1HPGDPTGS2 | |
| SCHEMBL7754417 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HSD17B10BCL2L1MAPK1HPGD | |
| SCHEMBL3327939 | 0.86 | MAOA (0.38) | ALDH1A1HSD17B10BCL2L1MAPK1HPGD | |
| SCHEMBL7703864 | 0.85 | GSTP1 (0.49) | PTGS2NPC1RAB9A | |
| SCHEMBL28598863 | 0.84 | NOTUM (0.50) | ALDH1A1MAPK1NPC1MAPTHTT | |
| SCHEMBL28592124 | 0.84 | NOTUM (0.50) | ALDH1A1MAPK1NPC1MAPTHTT | |
| SCHEMBL11032010 | 0.84 | MAPT (0.40) | HPGDCYP2A6CYP1A2PTGS2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1897880-A1 | 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-03-12 | — | — | EP | disclosed |