Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10445514 | 0.75 | ALDH1A1 (0.45) | CES2CES1KEAP1SMN1; SMN2GAA | |
| SCHEMBL10445363 | 0.74 | NPC1 (0.48) | SMN1; SMN2GAAALDH1A1KMT2ALMNA | |
| SCHEMBL12539406 | 0.73 | ALDH1A1 (0.50) | CES2CES1KEAP1DAOSMN1; SMN2 | |
| SCHEMBL6829927 | 0.72 | GAA (0.43) | SMN1; SMN2GAAALDH1A1KMT2ALMNA | |
| SCHEMBL10445504 | 0.72 | KMT2A (0.48) | SMN1; SMN2KMT2ALMNANPC1RAB9A | |
| SCHEMBL10445322 | 0.71 | LMNA (0.58) | SMN1; SMN2GAAALDH1A1KMT2ALMNA | |
| SCHEMBL10445334 | 0.70 | HSPA5 (0.56) | SMN1; SMN2HSD17B10ALDH1A1KMT2ALMNA | |
| SCHEMBL7163607 | 0.68 | ALDH1A1 (0.51) | CES2CES1KEAP1DAOSMN1; SMN2 | |
| SCHEMBL26056789 | 0.68 | CES2 (0.66) | CES2CES1KEAP1DAOSMN1; SMN2 | |
| SCHEMBL6829315 | 0.68 | ALDH1A1 (0.41) | CES2CES1SMN1; SMN2GAAALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326107-B1 | ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES | Bristol-Myers Squibb Company (US) | 1992-09-02 | — | — | EP | disclosed |
| US-4975462-A | Antiarthritic α-arylcarbamoyl cyanoacetic acid derivatives | BRISTOL-MYERS COMPANY (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0352812-A1 | Antiarthritic alpha-arylcarbamoyl cyanoacetic acid derivatives | Bristol-Myers Squibb Company (US) | 1990-01-31 | — | — | EP | disclosed |
| US-4888357-A | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1989-12-19 | — | — | US | disclosed |
| EP-0326107-A1 | Antiarthritic beta-cycloalkyl-beta-oxopropionitriles | Bristol-Myers Squibb Company (US) | 1989-08-02 | — | — | EP | disclosed |