Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297839 | 1.00 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL19544793 | 1.00 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL30793935 | 0.89 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL1103931 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL11931619 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL21806036 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL22295606 | 0.87 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL30793865 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL29080152 | 0.84 | MEN1 (0.63) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL15841157 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790144-A | Novel heterocyclic compounds are as tyrosine kinase BCR-ABL inhibitor | 爱仕达生物技术有限责任公司 | 2019-05-21 | — | — | CN | disclosed |
| WO-2017186148-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS | ASTAR BIOTECH LLC (US) | 2017-11-02 | — | — | WO | disclosed |
| WO-2017186148-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS | ASTAR BIOTECH LLC (US) | 2017-11-02 | — | — | WO | disclosed |