Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 9/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670184 | 1.00 | CALCRL (0.49) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL16615981 | 1.00 | CALCRL (0.49) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL830000 | 1.00 | CALCRL (0.49) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL829734 | 1.00 | CALCRL (0.49) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL16624591 | 0.88 | CALCRL (0.38) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL16616000 | 0.88 | CALCRL (0.38) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL16615999 | 0.88 | CALCRL (0.38) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL15674334 | 0.87 | CALCRL (0.48) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL1670444 | 0.87 | CALCRL (0.38) | CALCRLADRB2CYP3A4HTR1ASLC6A2 | |
| SCHEMBL15674335 | 0.87 | CALCRL (0.48) | CALCRLADRB2CYP3A4HTR1ASLC6A2 |
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-2488512-A1 | CGRP RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011046997-A1 | CGRP RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-04-21 | — | — | WO | disclosed |