Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
| ▸ | MMP3 | P08254 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11437310 | 0.81 | MMP2 (0.50) | MMP2MMP3MMP9MMP13MMP1 | |
| SCHEMBL7651607 | 0.75 | MAOA (0.53) | PIN1MMP8MAPTL3MBTL1MEN1 | |
| SCHEMBL2237332 | 0.75 | MAOA (0.53) | PIN1MMP8MAPTL3MBTL1MEN1 | |
| SCHEMBL6221210 | 0.75 | MAOA (0.53) | PIN1MMP8MAPTL3MBTL1MEN1 | |
| Biphenyl SCHEMBL28757662 | 0.75 | MME (0.46) | PIN1MMP8MAPTL3MBTL1MME | |
| SCHEMBL11434557 | 0.75 | ALDH1A1 (0.48) | MAPTL3MBTL1MEN1NPC1KMT2A | |
| SCHEMBL948935 | 0.74 | ALOX15 (0.43) | MAPTL3MBTL1MEN1NPC1KMT2A | |
| SCHEMBL5316238 | 0.74 | MAOA (0.50) | MMP2MMP3MMP9MMP13MMP1 | |
| SCHEMBL3162025 | 0.73 | CYP1A2 (0.43) | PIN1MMP8MAPTMMEMEN1 | |
| SCHEMBL11833508 | 0.73 | PTGS2 (0.49) | PIN1MMP8MAPTL3MBTL1MEN1 |
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-4233452-A | TREATMENT AND PREVENTION OF CALCIUM OXALATE UROLITHIASIS | MERCK & CO., INC. (US) | 1980-11-11 | — | — | US | disclosed |
| US-4207329-A | Derivatives of glycolic and glyoxylic acid as inhibitors of glycolic acid oxidase | MERCK & CO., INC. (US) | 1980-06-10 | — | — | US | disclosed |