Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631808 | 0.87 | ALDH1A1 (0.43) | ATMMEN1KMT2AALDH1A1GAA | |
| SCHEMBL3633770 | 0.85 | NOTUM (0.41) | ATMMEN1KMT2AALDH1A1GAA | |
| SCHEMBL3631359 | 0.84 | NOTUM (0.45) | GAATUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL3633919 | 0.81 | MEN1 (0.45) | ATMMEN1KMT2AALDH1A1GAA | |
| SCHEMBL3632701 | 0.79 | KDM4E (0.47) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL3631637 | 0.79 | LMNA (0.43) | MEN1KMT2AALDH1A1POLBKDM4E | |
| SCHEMBL3633608 | 0.76 | ABCB1 (0.53) | MEN1KMT2AL3MBTL1KDM4ELMNA | |
| SCHEMBL3631491 | 0.75 | ABCB1 (0.49) | MEN1KMT2AALDH1A1L3MBTL1CA12 | |
| SCHEMBL3626683 | 0.75 | NOTUM (0.42) | MEN1KMT2AALDH1A1GAAL3MBTL1 | |
| SCHEMBL3347259 | 0.74 | PTGDR2 (0.46) | MEN1KMT2APOLBKDM4ELMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |