Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MGMT | P16455 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25027310 | 1.00 | PIN1 (0.43) | PIN1PKMNPC1RAB9AMEN1 | |
| SCHEMBL25079151 | 0.83 | ADORA3 (0.45) | PKMCNR2CNR1ACHEADORA3 | |
| SCHEMBL30705990 | 0.83 | PKM (0.43) | PKMCNR2CNR1ACHEADORA3 | |
| SCHEMBL26637050 | 0.83 | PKM (0.43) | PKMCNR2CNR1ACHEADORA3 | |
| SCHEMBL26636277 | 0.83 | PKM (0.43) | PKMCNR2CNR1ACHEADORA3 | |
| SCHEMBL26925769 | 0.82 | PKM (0.43) | PKMNPC1RAB9ACNR2CNR1 | |
| SCHEMBL30731847 | 0.82 | PKM (0.43) | PKMNPC1RAB9ACNR2CNR1 | |
| SCHEMBL25861781 | 0.82 | PKM (0.42) | PKMCNR2CNR1ACHEADORA3 | |
| SCHEMBL31574863 | 0.82 | CNR2 (0.41) | PIN1PKMRAB9AMEN1KMT2A | |
| SCHEMBL25861773 | 0.82 | CNR1 (0.43) | PKMCNR1LMNASMN1; SMN2 |
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-118475567-A | Heterocyclic derivative, composition and pharmaceutical application thereof | 西藏海思科制药有限公司 | 2024-08-09 | — | — | CN | disclosed |