Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | CCR1 | P32246 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21995339 | 0.79 | ACHE (0.52) | HTR2AACHESIGMAR1 | |
| SCHEMBL28397007 | 0.78 | HTR2A (0.47) | HTR2A | |
| SCHEMBL29575598 | 0.76 | METAP1 (0.49) | HTR2A | |
| SCHEMBL1119003 | 0.76 | METAP1 (0.49) | HTR2A | |
| SCHEMBL1128712 | 0.74 | KMT2A (0.48) | — | |
| SCHEMBL295894 | 0.73 | L3MBTL1 (0.49) | HTR2AHTR2CCA1CA2SIGMAR1 | |
| SCHEMBL15688648 | 0.73 | SIGMAR1 (0.46) | HTR2AHTR2CSIGMAR1 | |
| SCHEMBL875259 | 0.73 | HTR2C (0.44) | HTR2AHTR2C | |
| SCHEMBL117304 | 0.70 | ACHE (0.68) | HTR2AACHEBCHEBACE1HTR2C | |
| SCHEMBL19183445 | 0.70 | HTR2A (0.43) | HTR2ACA1CA2SIGMAR1 |
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-1765805-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1765805-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005072308-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | disclosed |