Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539807 | 0.75 | PNMT (0.43) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL9539813 | 0.75 | PNMT (0.43) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL10840085 | 0.73 | TDP1 (0.42) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL376278 | 0.71 | PNMT (0.47) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL7903541 | 0.71 | TDP1 (0.40) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL7656469 | 0.70 | TDP1 (0.42) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL10400093 | 0.69 | SRC (0.47) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL9702241 | 0.68 | RAB9A (0.33) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL27609029 | 0.68 | TDP1 (0.43) | CHRNB2CHRNA4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL29661298 | 0.68 | TDP1 (0.40) | TDP1HSD17B10ALDH1A1CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992013860-A1 | NEW 4,5,6,7-TETRAHYDRO-IMIDAZO-[4,5,lJK][1,4]-BENZODIAZEPINE-2-(1H)-THIONES, A METHOD OF PREPARING THEM AS WELL AS DRUGS CONTAINING THEM, AND INTERMEDIATES FOR THE PREPARATION OF THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1992-08-20 | — | — | WO | disclosed |