Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.59 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 7/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7616717 | 0.79 | PBK (0.52) | PBKNAMPTTBXAS1 | |
| SCHEMBL1499336 | 0.79 | PTGS2 (0.59) | TSHRHTTPBKKMT2ANAMPT | |
| SCHEMBL31188551 | 0.78 | ALDH1A1 (0.60) | NPC1ALDH1A1HTTHSD17B10KMT2A | |
| SCHEMBL9223165 | 0.78 | ALDH1A1 (0.51) | NPC1ALDH1A1HPGDHSD17B10PBK | |
| SCHEMBL1499544 | 0.77 | PTGS2 (0.57) | ALDH1A1MAPTHTTNPSR1PBK | |
| SCHEMBL1499518 | 0.77 | PTGS2 (0.57) | PBKNAMPTPTGS1PTGS2 | |
| SCHEMBL9220304 | 0.77 | NR1H4 (0.64) | NPC1ALDH1A1RAB9AL3MBTL1ESRRG | |
| Hydrochloric Acid SCHEMBL15769552 | 0.75 | HTT (0.73) | NPC1ALDH1A1MAPTHPGDTSHR | |
| SCHEMBL823552 | 0.75 | NAAA (0.84) | NPC1ALDH1A1MAPTHPGDTSHR | |
| SCHEMBL7011089 | 0.75 | NAMPT (0.65) | NAMPT |
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-4006239-A | Benzoic acid amides for mycobacterium infections | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | disclosed |