Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | FABP3 | P05413 | 6/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Thioglycolic Acid SCHEMBL6365844 | 1.00 | CES2 (0.43) | CES2CES1CA1FABP3GPR84 | |
| 1,4-Butanediol SCHEMBL8778129 | 0.93 | LMNA (0.46) | CES2CES1CA1FABP3KMT2A | |
| Thioglycolic Acid SCHEMBL746612 | 0.91 | CA1 (0.44) | CES2CES1CA1FABP3CA2 | |
| Fumaric Acid SCHEMBL11672387 | 0.89 | FABP3 (0.39) | CES2CES1CA1FABP3 | |
| Propionic Acid SCHEMBL6432651 | 0.87 | CES2 (0.46) | CES2CES1CA1FABP3GPR84 | |
| Propionic Acid SCHEMBL9858986 | 0.87 | CES2 (0.46) | CES2CES1CA1FABP3GPR84 | |
| Mercaptopropionic Acid SCHEMBL3687925 | 0.86 | CA1 (0.47) | CES2CES1CA1FABP3GPR84 | |
| Thioglycolic Acid SCHEMBL33524891 | 0.86 | CES2 (0.41) | CES2CES1CA1FABP3GPR84 | |
| Glycolic Acid SCHEMBL25274682 | 0.85 | CES2 (0.44) | CES2CES1CA1FABP3GPR84 | |
| Glycolic Acid SCHEMBL7650210 | 0.85 | CES2 (0.44) | CES2CES1CA1FABP3GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002094927-A1 | STABILIZED CITRATE-PLASTICIZED FLEXIBLE PVC | CROMPTON VINYL ADDITIVES GMBH (DE) | 2002-11-28 | — | — | WO | disclosed |
| US-4988750-A | Halogenated polymer and didodecyltin bisthioglycolic acid ester and dodecyltin tristhioglycolic acid ester | SCHERING AG (DE) | 1991-01-29 | — | — | US | disclosed |