Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693101 | 0.79 | HDAC6 (0.39) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL5141824 | 0.79 | HDAC6 (0.31) | HDAC6 | |
| SCHEMBL2622073 | 0.78 | HDAC6 (0.38) | HDAC6HDAC1HDAC2CA14ALDH1A1 | |
| SCHEMBL14360869 | 0.74 | HDAC6 (0.39) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL22814762 | 0.74 | HDAC6 (0.39) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL23857551 | 0.73 | HDAC6 (0.38) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL22770926 | 0.73 | HDAC6 (0.38) | HDAC6HDAC1HDAC2TSHRCA14 | |
| SCHEMBL12160052 | 0.72 | HDAC6 (0.40) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL23425907 | 0.71 | HDAC6 (0.41) | HDAC6HDAC1HDAC2CA14CA12 | |
| SCHEMBL27162745 | 0.71 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |