Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | QDPR | P09417 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20759707 | 0.85 | GRM1 (0.48) | GRM5GRM1GPR119NAMPT | |
| SCHEMBL28884398 | 0.77 | RXFP1 (0.45) | ALDH1A1GRM5TDP1MEN1KMT2A | |
| SCHEMBL18009528 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2QDPRGRM5GRM1 | |
| SCHEMBL10317879 | 0.75 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KCNH2HRH3GAA | |
| SCHEMBL25185933 | 0.74 | GPR119 (0.43) | ALDH1A1GPR119MEN1KMT2ATSHR | |
| SCHEMBL28966541 | 0.74 | TRPV1 (0.45) | ALDH1A1SMN1; SMN2TRPV1 | |
| SCHEMBL20759869 | 0.73 | QDPR (0.36) | QDPRCCNT1CDK9KCNH2HRH3 | |
| SCHEMBL28368651 | 0.72 | NPC1 (0.44) | ALDH1A1SMN1; SMN2GRM5GRM1GAA | |
| SCHEMBL2100256 | 0.72 | NAMPT (0.36) | ALDH1A1SMN1; SMN2GRM5GRM1CCNT1 | |
| SCHEMBL15952943 | 0.72 | NAMPT (0.47) | TDP1KMT2ANPC1RAB9ANAMPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111410648-B | Chiral c-KIT inhibitor drug key intermediate and preparation method thereof | 浙江海正药业股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-117098760-A | Compositions and methods for treating KIT and PDGFRA mediated diseases | 缆图药品公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-110891953-B | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-111410648-A | Chiral c-KIT inhibitor drug key intermediate and preparation method thereof | 浙江海正药业股份有限公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-110891953-A | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2020-03-17 | — | — | CN | disclosed |