Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL27816394 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TP53MAPK1RAB9A | |
| SCHEMBL3783750 | 0.84 | NPC1 (0.53) | ALDH1A1HSD17B10TP53MAPK1RAB9A | |
| SCHEMBL3793161 | 0.83 | GSTP1 (0.57) | MAPK1RAB9AGSTP1MAPTNPSR1 | |
| SCHEMBL5014862 | 0.81 | ALDH1A1 (0.52) | ALDH1A1HSD17B10RAB9ANCOA1NCOA3 | |
| SCHEMBL8266801 | 0.80 | CHEK2 (0.44) | ALDH1A1HSD17B10MAPTLMNACASP1 | |
| SCHEMBL3790623 | 0.78 | GSTP1 (0.53) | ALDH1A1HSD17B10TP53RAB9ANCOA1 | |
| SCHEMBL29492486 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TP53MAPK1RAB9A | |
| SCHEMBL3785577 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TP53MAPK1RAB9A | |
| Hydrochloric Acid SCHEMBL654303 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TP53MAPK1RAB9A | |
| SCHEMBL3787611 | 0.76 | MAOB (0.65) | RAB9AGSTP1MAPTNPSR1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1113236-A | Non-peptidyl tachykinin receptor antagonists | LILLY CO ELI (US) | 1995-12-13 | — | — | CN | disclosed |