Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20162248 | 0.85 | PPARG (0.43) | LDHACYP2D6CYP2C19TSHRKDM4E | |
| SCHEMBL20162240 | 0.83 | CYP2D6 (0.39) | LDHACYP2D6CYP2C19TSHRHSD17B10 | |
| SCHEMBL168595 | 0.82 | LDHA (0.67) | LDHACYP2D6TSHRKDM4ECYP3A4 | |
| SCHEMBL20399497 | 0.75 | PTGS2 (0.45) | TSHRHSD17B10KDM4ECYP3A4L3MBTL1 | |
| SCHEMBL20395678 | 0.74 | ALDH1A1 (0.45) | CYP2D6CYP2C19TSHRHSD17B10CYP3A4 | |
| SCHEMBL10821844 | 0.74 | LDHA (0.43) | LDHACYP2C19HSD17B10KDM4ECYP3A4 | |
| SCHEMBL9048230 | 0.74 | CA12 (0.62) | TSHRHSD17B10KDM4ECYP3A4SMN1; SMN2 | |
| SCHEMBL28492538 | 0.74 | HTT (0.41) | TSHRKDM4ECYP3A4CREBBPMEN1 | |
| SCHEMBL491022 | 0.73 | LDHA (0.47) | LDHAKDM4EPOLBKMT2A | |
| SCHEMBL20677720 | 0.73 | TSHR (0.46) | TSHRHSD17B10CYP3A4NPC1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3322400-A1 | COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS | Merck Patent GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |