Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28078245 | 0.88 | CA2 (0.44) | CA2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL17861620 | 0.78 | CA2 (0.47) | CA2SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL5722720 | 0.77 | MAOB (0.42) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL29935960 | 0.77 | MAOB (0.42) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL16964715 | 0.77 | TSHR (0.39) | TSHRCA2HPGDSIGMAR1HTR1A | |
| SCHEMBL7418336 | 0.74 | CHRM2 (0.42) | TSHRCA2CHRM2CHRM4CHRM5 | |
| SCHEMBL6565400 | 0.74 | MAOB (0.49) | TSHRHPGD | |
| SCHEMBL23894635 | 0.73 | CA2 (0.42) | CA2SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL16341041 | 0.73 | CA2 (0.39) | TSHRCA2HPGDSIGMAR1HTR1A | |
| SCHEMBL18469503 | 0.73 | SSTR4 (0.43) | TSHRCA2CHRM2CHRM4CHRM5 |
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-1959959-B1 | MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-04-10 | — | — | EP | disclosed |