Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.64 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 5/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.57 |
| ▸ | MIF | P14174 | 5/20 | 0.55 |
| ▸ | MAOA | P21397 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3741412 | 0.89 | MAOA (0.67) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL4040669 | 0.89 | CES1 (0.61) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL29669379 | 0.89 | CES1 (0.61) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL29408351 | 0.82 | CES1 (0.90) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL29437756 | 0.82 | CES1 (0.90) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL44496 | 0.82 | CES1 (0.90) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL7052871 | 0.81 | TDP1 (1.00) | TDP1L3MBTL1MAPK14CES1MAOB | |
| SCHEMBL15676305 | 0.81 | MAOA (0.67) | TDP1L3MBTL1MAPK14ALDH1A1MAPT | |
| SCHEMBL2317919 | 0.80 | AKR1B1 (0.59) | MAPK14PBRM1MAOBAKR1B1MIF | |
| SCHEMBL4054048 | 0.80 | CYP19A1 (0.59) | TDP1L3MBTL1MAPK14PBRM1MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4448786-A | TREATMENT AND PREVENTION OF CALCIUM OXALATE KIDNEY STONES | MERCK & CO., INC. (US) | 1984-05-15 | — | — | US | disclosed |
| US-4349561-A | 4-Substituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase | MERCK & CO., INC. (US) | 1982-09-14 | — | — | US | disclosed |