Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21640389 | 1.00 | HRH3 (0.47) | HRH3HRH4KDM4ENPC1RAB9A | |
| SCHEMBL18497478 | 0.86 | HRH3 (0.53) | HRH3NPC1RAB9APKMNOS2 | |
| Hydrochloric Acid SCHEMBL34474187 | 0.85 | HRH3 (0.51) | HRH3NPC1RAB9APKMNOS2 | |
| Trifluoroacetic Acid SCHEMBL4920824 | 0.82 | NPC1 (0.50) | KDM4ENPC1RAB9APKMCHIT1 | |
| Trifluoroacetic Acid SCHEMBL26645027 | 0.75 | CHIT1 (0.53) | KDM4ENPC1RAB9APKMCHIT1 | |
| SCHEMBL25422820 | 0.74 | IRAK4 (0.50) | HRH3HRH4NOS2FLT3 | |
| SCHEMBL13326544 | 0.74 | IRAK4 (0.50) | HRH3HRH4NOS2FLT3 | |
| SCHEMBL30632323 | 0.74 | IRAK4 (0.50) | HRH3HRH4NOS2FLT3 | |
| SCHEMBL17961796 | 0.74 | IRAK4 (0.50) | HRH3HRH4NOS2FLT3 | |
| SCHEMBL6216854 | 0.74 | IRAK4 (0.50) | HRH3HRH4NOS2FLT3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110520422-B | Novel pyridonecarboxylic acid derivative or salt thereof | 涌永制药株式会社 | 2023-09-05 | — | — | CN | disclosed |