Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8316075 | 0.93 | CYP1A2 (0.37) | CES2CES1HTR2CCA2DGKA | |
| SCHEMBL9095203 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL9097097 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL27986037 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL9097723 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL4621658 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL9094766 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL9095001 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL9097583 | 0.89 | CES2 (0.46) | CES2CES1CA2DGKAFAAH | |
| SCHEMBL6946105 | 0.87 | CES2 (0.45) | CES2CES1CA2DGKAFAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-6706670-B2 | CARBOXYLIC ACIDS AND SALTS AND PHOSPHATES, BORATES, PHOSPHONATES, PHOSPHITES AND HYPOPHOSPHITES | SOLUTIA, INC. | 2004-03-16 | — | — | US | disclosed |