Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28722012 | 1.00 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28722010 | 1.00 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28722247 | 0.91 | CACNA1F (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29452655 | 0.91 | CACNA1F (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL23041562 | 0.80 | MME (0.36) | SMYD3RIPK1KMT2AIDO1 | |
| SCHEMBL23051959 | 0.80 | MME (0.36) | SMYD3RIPK1KMT2AIDO1 | |
| SCHEMBL23041420 | 0.80 | MME (0.36) | SMYD3RIPK1KMT2AIDO1 | |
| SCHEMBL23041425 | 0.80 | MME (0.36) | SMYD3RIPK1KMT2AIDO1 | |
| SCHEMBL29452729 | 0.80 | MME (0.36) | SMYD3RIPK1KMT2AIDO1 | |
| SCHEMBL29707757 | 0.80 | MME (0.36) | SMYD3RIPK1KMT2AIDO1 |
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-4021572-A1 | SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | Novartis AG (CH) | 2022-07-06 | — | — | EP | disclosed |
| CN-114341132-A | Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases | 诺华股份有限公司 | 2022-04-12 | — | — | CN | disclosed |