Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | ATM | Q13315 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30540468 | 0.84 | TSHR (0.38) | ALDH1A1SMN1; SMN2KMT2ATSHR | |
| SCHEMBL30540437 | 0.74 | MAPK1 (0.38) | KDM4ESMN1; SMN2GAACYP3A4NPC1 | |
| SCHEMBL2902646 | 0.69 | KDM4E (0.45) | ACHEKDM4EALDH1A1ATMHPGD | |
| SCHEMBL2902560 | 0.69 | KDM4E (0.45) | ACHEKDM4EALDH1A1ATMHPGD | |
| SCHEMBL14725585 | 0.68 | NPSR1 (0.52) | NPSR1ACHEKDM4EALDH1A1ATM | |
| SCHEMBL28824010 | 0.67 | NPSR1 (0.47) | NPSR1ACHEKDM4EALDH1A1ATM | |
| SCHEMBL31214355 | 0.66 | NPSR1 (0.45) | NPSR1ACHEKDM4EALDH1A1HPGD | |
| SCHEMBL2896227 | 0.66 | POLB (0.39) | TSHR | |
| SCHEMBL21679164 | 0.65 | NPSR1 (0.43) | NPSR1ACHEKDM4EALDH1A1ATM | |
| SCHEMBL31214262 | 0.65 | NPSR1 (0.48) | NPSR1ACHEKDM4EALDH1A1ATM |
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-118696043-A | Heterocyclic compounds, compositions thereof and methods of treatment therewith | 百济神州有限公司 | 2024-09-24 | — | — | CN | disclosed |