Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL829400 | 1.00 | DGAT1 (0.45) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL7813369 | 0.82 | HSD17B1 (0.44) | DGAT1CES2CES1 | |
| SCHEMBL4591061 | 0.82 | DGAT1 (0.42) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL30995317 | 0.82 | DGAT1 (0.42) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL9491069 | 0.82 | DGAT1 (0.42) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL811079 | 0.82 | DGAT1 (0.42) | DGAT1CES2CES1PARP1ROCK2 | |
| Hydrochloric Acid SCHEMBL30995407 | 0.80 | DGAT1 (0.41) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL25679030 | 0.80 | DGAT1 (0.50) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL4514123 | 0.80 | DGAT1 (0.41) | DGAT1CES2CES1PARP1ROCK2 | |
| SCHEMBL8727078 | 0.80 | DGAT1 (0.41) | DGAT1CES2CES1PARP1ROCK2 |
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-105732428-A | Tetrafluorobenzonitrile production method | 江苏维尤纳特精细化工有限公司 | 2016-07-06 | — | — | CN | disclosed |