Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8744165 | 0.80 | CHRM1 (0.37) | TSHRFAAH | |
| SCHEMBL17469430 | 0.79 | CHRM1 (0.35) | CYP2D6CYP2C9TSHRCYP2C19FAAH | |
| SCHEMBL2035661 | 0.79 | CHRM1 (0.35) | CYP2D6CYP2C9TSHRCYP2C19FAAH | |
| SCHEMBL7638052 | 0.77 | CHRM1 (0.33) | CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14534529 | 0.77 | CA1 (0.37) | CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL10974017 | 0.77 | CYP2D6 (0.32) | CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL3473720 | 0.77 | CA1 (0.37) | CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL3971915 | 0.77 | TSHR (0.32) | CYP2D6CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL28492070 | 0.77 | CHRM1 (0.33) | CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL28267785 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0753085-A1 | PROCESS FOR PREPARING BRANCHED PERFLUOROCHEMICALS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-01-15 | — | — | EP | disclosed |
| WO-1995026429-A1 | PROCESS FOR PREPARING BRANCHED PERFLUOROCHEMICALS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-10-05 | — | — | WO | disclosed |