Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1906879 | 0.93 | TSHR (0.55) | TSHRKCNH2KCNJ1LOXL2CHRM2 | |
| SCHEMBL8956380 | 0.86 | TSHR (0.58) | TSHRKCNH2KCNJ1LOXL2HRH3 | |
| SCHEMBL15453241 | 0.85 | TSHR (0.53) | TSHRKCNH2KCNJ1LOXL2CHRM2 | |
| SCHEMBL15453242 | 0.85 | TSHR (0.53) | TSHRKCNH2KCNJ1LOXL2CHRM2 | |
| SCHEMBL18913824 | 0.84 | TSHR (0.69) | TSHRKCNH2KCNJ1LOXL2CHRM2 | |
| SCHEMBL12989712 | 0.82 | TDP1 (0.52) | TSHRCHRM2ALDH1A1 | |
| SCHEMBL11336193 | 0.82 | TDP1 (0.52) | TSHRCHRM2ALDH1A1 | |
| SCHEMBL3028162 | 0.81 | TSHR (0.56) | TSHRKCNH2KCNJ1LOXL2CHRM2 | |
| SCHEMBL8995565 | 0.81 | TSHR (0.56) | TSHRKCNH2KCNJ1LOXL2CHRM2 | |
| SCHEMBL8096572 | 0.80 | POLB (0.61) | TSHRKCNH2KCNJ1LOXL2CHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0078768-B1 | PROCESS FOR THE CATALYTIC PD ARYLATION OF OLEFINES WITH ARYL HALOGENIDES | CIBA-GEIGY AG (CH) | 1986-08-27 | — | — | EP | disclosed |
| US-4564479-A | PALLADIUM COMPOUND, PHOSPHORUS OR ARSENIC COMPOUND | CIBA-GEIGY CORPORATION (US) | 1986-01-14 | — | — | US | disclosed |
| EP-0078768-A1 | Process for the catalytic Pd arylation of olefines with aryl halogenides | CIBA-GEIGY AG (CH) | 1983-05-11 | — | — | EP | disclosed |