Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL456302 | 0.77 | — | — | |
| SCHEMBL185890 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL6709412 | 0.74 | CYP2A6 (0.41) | ALDH1A1HSD17B10HPGDCYP2A6TDP1 | |
| SCHEMBL4367790 | 0.74 | NOTUM (0.33) | ALDH1A1MAPK1 | |
| SCHEMBL11687667 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDMAPK1TDP1 | |
| SCHEMBL7393282 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL693994 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL3978906 | 0.73 | CYP2A6 (0.50) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL695988 | 0.73 | PDCD1 (0.39) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL5182575 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016201288-A1 | NOVEL ANTIBACTERIAL COMPOUNDS AND METHODS OF MAKING AND USING SAME | BROWN UNIVERSITY (US) | 2016-12-15 | — | — | WO | claimed |
| EP-2614053-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033225-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |
| US-5358966-A | Using n,n'-diacylhydrazine | ROHM AND HAAS COMPANY (US) | 1994-10-25 | — | — | US | disclosed |