Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | XPO1 | O14980 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29525907 | 0.81 | PTGS1 (0.53) | GAAPOLBPTGS1XPO1NPC1 | |
| SCHEMBL587272 | 0.81 | PTGS1 (0.53) | GAAPOLBPTGS1XPO1NPC1 | |
| Ethoxycarbonyl Group SCHEMBL28284394 | 0.80 | L3MBTL1 (0.52) | GAAMAPK1MAPTLMNA | |
| Ethoxycarbonyl Group SCHEMBL28282947 | 0.79 | KDM4E (0.49) | GAAHPGDNPC1RAB9AMAPT | |
| Ethoxycarbonyl Group SCHEMBL28284409 | 0.79 | POLB (0.45) | GAAPOLBHPGDMAPK1NPC1 | |
| Hydrochloric Acid SCHEMBL15167588 | 0.79 | PTGS1 (0.51) | GAAPOLBPTGS1XPO1NPC1 | |
| Hydrochloric Acid SCHEMBL30062287 | 0.79 | PTGS1 (0.51) | GAAPOLBPTGS1XPO1NPC1 | |
| SCHEMBL16343659 | 0.71 | PTGS1 (0.44) | GAAPTGS1NPC1RAB9AMAPT | |
| SCHEMBL16343658 | 0.71 | PTGS1 (0.44) | GAAPTGS1NPC1RAB9AMAPT | |
| Ethoxycarbonyl Group SCHEMBL28774140 | 0.70 | CDK8 (0.41) | — |
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-109476658-A | Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof | 拜耳公司 | 2019-03-15 | — | — | CN | disclosed |