Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29104006 | 0.87 | SRD5A1 (0.44) | ABHD6PARP1PARP10DPP8DPP9 | |
| SCHEMBL1956852 | 0.81 | ABHD6 (0.55) | ABHD6DPP8DPP9DPP7SRD5A1 | |
| SCHEMBL4437450 | 0.81 | ABHD6 (0.55) | ABHD6DPP8DPP9DPP7SRD5A1 | |
| SCHEMBL21591715 | 0.79 | ESR2 (0.51) | ABHD6NAMPT | |
| SCHEMBL21800358 | 0.78 | TMEM97 (0.52) | — | |
| SCHEMBL29375980 | 0.76 | KMT2A (0.46) | TDP1L3MBTL1HSP90AA1 | |
| SCHEMBL28695007 | 0.76 | KMT2A (0.46) | TDP1L3MBTL1HSP90AA1 | |
| SCHEMBL23326623 | 0.75 | MAOA (0.49) | ABHD6HSP90AA1PBRM1 | |
| SCHEMBL15779215 | 0.75 | MEN1 (0.43) | PARP1TDP1L3MBTL1PARP10SRD5A1 | |
| SCHEMBL18586139 | 0.72 | TDP1 (0.42) | PARP1TDP1L3MBTL1PARP10SRD5A1 |
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-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |