Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 3/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 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 | |
|---|---|---|---|---|
| SCHEMBL19145369 | 0.83 | PARP1 (0.58) | HDAC4PARP1MAP2K4DHODHCCNT1 | |
| SCHEMBL23344109 | 0.78 | MAP4K4 (0.54) | HDAC4RAB9ANPC1CDK8CDK7 | |
| SCHEMBL16727393 | 0.76 | RAB9A (0.55) | HDAC4RAB9ANPC1IDO1METAP2 | |
| SCHEMBL29686802 | 0.75 | MAP4K4 (0.54) | HDAC4RAB9ANPC1METAP2 | |
| SCHEMBL1950804 | 0.74 | CDK8 (0.56) | HDAC4RAB9ANPC1CDK8 | |
| SCHEMBL13700140 | 0.74 | DHODH (0.42) | MAP2K4NPC1METAP2DHODH | |
| SCHEMBL12825306 | 0.74 | PARP1 (0.63) | RAB9APARP1NPC1 | |
| SCHEMBL16602145 | 0.73 | NPC1 (0.54) | HDAC4RAB9ANPC1HPGDS | |
| SCHEMBL20243662 | 0.72 | PRSS1 (0.64) | HDAC4PRSS1PRSS2PRSS3DHODH | |
| SCHEMBL21170486 | 0.72 | MET (0.38) | MAP2K4PRSS1PRSS2PRSS3MET |
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-3722284-A1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2020-10-14 | — | — | EP | disclosed |
| EP-3402781-B1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |