Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3830848 | 0.68 | CA12 (0.40) | CA1CA2CA12CA4CA7 | |
| SCHEMBL627717 | 0.67 | CYP19A1 (0.31) | — | |
| SCHEMBL2717749 | 0.62 | CYP3A4 (0.37) | ALDH1A1HSD17B10KDM4EMAPK1 | |
| SCHEMBL3814920 | 0.62 | GRIN2D (0.40) | KMT2AGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL19783163 | 0.62 | KMT2A (0.39) | CA1CA2CA12CA4CA7 | |
| SCHEMBL294046 | 0.62 | KMT2A (0.39) | CA1CA2CA12CA4CA7 | |
| SCHEMBL1743529 | 0.61 | CES1 (0.67) | CA1CA2CA12CA4CA7 | |
| SCHEMBL29502897 | 0.61 | CES1 (0.67) | CA1CA2CA12CA4CA7 | |
| SCHEMBL8873220 | 0.61 | CA12 (0.44) | CA1CA2CA12CA4CA7 | |
| SCHEMBL688899 | 0.60 | GRIA1 (0.42) | CA1CA2CA12CA4CA7 |
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-2146572-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008130512-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-10-30 | — | — | WO | disclosed |