Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | TDP2 | O95551 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31091354 | 0.83 | ADORA3 (0.57) | ALDH1A1HPGDHSD17B10CYP1A2ADORA3 | |
| SCHEMBL2113012 | 0.75 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL306569 | 0.75 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29577150 | 0.75 | LMNA (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9870996 | 0.74 | KDM4E (0.58) | ALDH1A1HPGDHSD17B10CYP1A2ADORA3 | |
| SCHEMBL14352130 | 0.74 | ALDH1A1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8548096 | 0.74 | ADORA3 (0.58) | ALDH1A1HPGDHSD17B10CYP1A2ADORA3 | |
| SCHEMBL9308847 | 0.74 | BRD4 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17874238 | 0.74 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27185753 | 0.74 | CA12 (0.49) | CA12CA1CA2CA7CA9 |
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-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | disclosed |