Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 5/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | GPR183 | P32249 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3047762 | 0.99 | KDR (0.52) | KDRADORA2AADORA1RIPK1HRH4 | |
| Hydrochloric Acid SCHEMBL5047143 | 0.91 | KDR (0.60) | KDRADORA2AADORA1RIPK1HRH4 | |
| Hydrochloric Acid SCHEMBL3051439 | 0.78 | KDR (0.49) | KDRADORA2AADORA1RIPK1HRH4 | |
| Hydrochloric Acid SCHEMBL3049633 | 0.76 | KDR (0.58) | KDRADORA2AADORA1RIPK1HRH4 | |
| Hydrochloric Acid SCHEMBL3048587 | 0.74 | KDR (0.51) | KDRADORA2AADORA1RIPK1HRH4 | |
| SCHEMBL3048545 | 0.74 | KDR (0.54) | KDRADORA2AADORA1RIPK1HRH4 | |
| SCHEMBL3044993 | 0.74 | KDR (0.54) | KDRADORA2AADORA1RIPK1HRH4 | |
| SCHEMBL3040051 | 0.73 | KDR (0.57) | KDRADORA2AADORA1RIPK1HRH4 | |
| SCHEMBL3050419 | 0.72 | KDR (0.49) | KDRADORA2AADORA1RIPK1HRH4 | |
| SCHEMBL3050410 | 0.72 | KDR (0.49) | KDRADORA2AADORA1RIPK1HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |