Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2656510 | 0.79 | CYP2A6 (0.46) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL29472298 | 0.79 | CYP2A6 (0.46) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL15389974 | 0.79 | CYP2A6 (0.50) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11180431 | 0.78 | CYP2A6 (0.48) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL10369397 | 0.75 | CYP2A6 (0.46) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL10133289 | 0.75 | CYP2A6 (0.55) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL17740782 | 0.75 | ALDH1A1 (0.55) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL18875992 | 0.75 | CYP2A6 (0.46) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL20419214 | 0.75 | HTR2C (0.46) | CYP2A6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4315507 | 0.73 | MEN1 (0.58) | CYP2A6MEN1KMT2ANPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021039961-A1 | RING-FUSED PYRAZOLE DERIVATIVE | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |
| EP-2215074-B1 | ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES | US HEALTH (US) | 2014-02-19 | — | — | EP | disclosed |
| EP-2573080-A1 | Isoindoline compounds for the treatment of spinal muscular atrophy and other uses | The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2009042907-A1 | ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-04-02 | — | — | WO | disclosed |