Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CTSV | O60911 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.45 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.45 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.45 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9159477 | 0.86 | CA12 (0.51) | CA12CA9CTSVCTSLPARP1 | |
| SCHEMBL31169728 | 0.78 | CA12 (0.58) | CA12CA9CTSVCTSLPARP1 | |
| SCHEMBL20183771 | 0.78 | CA12 (0.58) | CA12CA9CTSVCTSLPARP1 | |
| SCHEMBL9766056 | 0.77 | ALDH1A1 (0.46) | CA12CA9MAPTALDH1A1MEN1 | |
| SCHEMBL8369447 | 0.77 | AR (0.51) | CA12CA9PARP1LMNA | |
| SCHEMBL30349881 | 0.76 | MAPT (0.61) | CA12CA9CTSVCTSLPARP1 | |
| Hydrochloric Acid SCHEMBL8367852 | 0.75 | AR (0.50) | CA12CA9PARP1LMNA | |
| SCHEMBL4469615 | 0.75 | CA12 (0.58) | CA12CA9CTSVCTSLPARP1 | |
| SCHEMBL31081636 | 0.75 | CA12 (0.58) | CA12CA9CTSVCTSLPARP1 | |
| SCHEMBL8368811 | 0.74 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ARAB9ANPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3327004-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM CORP (JP) | 2020-11-04 | — | — | EP | disclosed |
| EP-0850235-B1 | QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS | SANOFI SYNTHELABO (FR) | 1999-12-01 | — | — | EP | disclosed |
| US-5958924-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS | SYNTHELABO (FR) | 1999-09-28 | — | — | US | disclosed |