Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 4/20 | 0.33 |
| ▸ | FAAH | O00519 | 8/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28718055 | 0.87 | CA14 (0.40) | CA14HDAC1HDAC2HDAC6 | |
| SCHEMBL22796737 | 0.83 | CA14 (0.31) | CA14 | |
| SCHEMBL25336802 | 0.80 | HDAC6 (0.34) | CA14HDAC1HDAC2HDAC6CA12 | |
| SCHEMBL29559298 | 0.80 | CA14 (0.38) | CA14HDAC1HDAC2HDAC6 | |
| SCHEMBL29626228 | 0.79 | HDAC6 (0.35) | CA14HDAC1HDAC2HDAC6CTSK | |
| SCHEMBL22796738 | 0.77 | TSHR (0.39) | CA14 | |
| SCHEMBL21651913 | 0.74 | CA12 (0.40) | CA14HDAC1HDAC2HDAC6CTSK | |
| SCHEMBL14396847 | 0.73 | CA14 (0.41) | CA14HDAC1HDAC2HDAC6CES2 | |
| SCHEMBL8736769 | 0.72 | HDAC1 (0.41) | CA14HDAC1HDAC2HDAC6CES2 | |
| SCHEMBL14802528 | 0.72 | HDAC1 (0.41) | CA14HDAC1HDAC2HDAC6CES2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020249970-A1 | CGRP ANTAGONIST COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-12-17 | — | — | WO | disclosed |