Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2975056 | 0.87 | MALT1 (0.54) | HDAC1MALT1LMNAPOLBKDM4A | |
| SCHEMBL29655427 | 0.87 | MALT1 (0.54) | HDAC1MALT1LMNAPOLBKDM4A | |
| SCHEMBL23736432 | 0.85 | MALT1 (0.43) | HDAC1MALT1LMNAPOLBKDM4A | |
| SCHEMBL4565908 | 0.85 | HDAC1 (0.50) | HDAC1MALT1LMNAPOLBKDM4A | |
| SCHEMBL22605515 | 0.85 | BRD4 (0.49) | HDAC1MALT1BCHECA12CA1 | |
| SCHEMBL22121240 | 0.83 | HDAC1 (0.49) | HDAC1MALT1LMNAPOLBKDM4A | |
| SCHEMBL23997305 | 0.83 | HDAC1 (0.63) | HDAC1KDM4ACA12CA1CA7 | |
| SCHEMBL30336954 | 0.83 | HDAC1 (0.63) | HDAC1KDM4ACA12CA1CA7 | |
| SCHEMBL28514702 | 0.82 | IDO1 (0.47) | HDAC1MALT1LMNABCHEIDO1 | |
| SCHEMBL21071330 | 0.81 | ADORA2A (0.47) | HDAC1MALT1LMNAPOLBBCHE |
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-2023136942-A1 | SYNTHETIC INTERMEDIATES AND IMPROVED PROCESSES FOR PREPARING ROCK INHIBITORS | AERIE PHARMACEUTICALS, INC. (US) | 2023-07-20 | — | — | WO | disclosed |