Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14412882 | 0.89 | ALDH1A1 (0.70) | ALDH1A1CYP2C19TSHRCYP2C9KMT2A | |
| SCHEMBL13873127 | 0.88 | ALDH1A1 (0.55) | ALDH1A1CYP2C19TSHRCYP2C9KDM4E | |
| SCHEMBL8090108 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CYP2C19TSHRCYP2C9KDM4E | |
| SCHEMBL12508495 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP2C19TSHRKDM4EKMT2A | |
| SCHEMBL13873388 | 0.80 | EPHX2 (0.64) | ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL13873102 | 0.77 | ALDH1A1 (0.66) | ALDH1A1CYP2C19TSHRCYP2C9KMT2A | |
| SCHEMBL25120469 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP2C19TSHRKDM4EKMT2A | |
| SCHEMBL14413270 | 0.76 | ALDH1A1 (0.64) | ALDH1A1TSHRKMT2ANPSR1 | |
| Hydrochloric Acid SCHEMBL30585932 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP2C19TSHRCYP2C9KDM4E | |
| Hydrochloric Acid SCHEMBL21639989 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP2C19TSHRCYP2C9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007106705-A1 | SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-09-20 | — | — | WO | disclosed |