Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 5/20 | 0.37 |
| ▸ | ACACA | Q13085 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7414311 | 1.00 | MEN1 (0.45) | MEN1KMT2APABPC1ACACBACACA | |
| SCHEMBL7411933 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19TSHRP4HTM | |
| SCHEMBL7414234 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19TSHRP4HTM | |
| SCHEMBL7410510 | 0.80 | TSHR (0.35) | CYP3A4CYP2C9CYP2C19TSHRP4HTM | |
| SCHEMBL7414435 | 0.80 | TSHR (0.35) | CYP3A4CYP2C9CYP2C19TSHRP4HTM | |
| SCHEMBL7414580 | 0.79 | TSHR (0.35) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7415007 | 0.73 | GLA (0.40) | KMT2ACYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL6597590 | 0.73 | HTR2C (0.41) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL7414013 | 0.72 | CHRNB2 (0.40) | CHRNB2CHRNA4 | |
| SCHEMBL7411868 | 0.71 | GLA (0.36) | CYP3A4CYP2C9CYP2C19TSHRHTR2C |
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-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |