Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL16390738 | 0.80 | KMT2A (0.41) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL14279749 | 0.76 | TSHR (0.49) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL3815921 | 0.74 | HSD17B10 (0.51) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL8776703 | 0.72 | CYP2C9 (0.42) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL4124999 | 0.72 | KMT2A (0.44) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL8776796 | 0.70 | LTA4H (0.40) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL4278991 | 0.69 | CYP2D6 (0.44) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL7498000 | 0.68 | TSHR (0.49) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL27820393 | 0.68 | SIGMAR1 (0.46) | MEN1CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL2870036 | 0.68 | SIGMAR1 (0.36) | KMT2ATSHRCYP2D6SIGMAR1DPP4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101103020-B | Cgrp receptor antagonists | MERCK & CO INC | 2011-04-27 | — | — | CN | disclosed |
| EP-1856100-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| CN-101103020-A | CGRP receptor antagonists | MERCK & CO INC (US) | 2008-01-09 | — | — | CN | disclosed |
| EP-1856100-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006078554-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |