Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RPA1 | P27694 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633919 | 0.90 | MEN1 (0.45) | NOTUMKMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL3633758 | 0.88 | NOTUM (0.44) | NOTUMKMT2AMEN1ALDH1A1MGLL | |
| SCHEMBL3632701 | 0.87 | KDM4E (0.47) | NOTUMALKBH5KMT2AMAPTLMNA | |
| SCHEMBL3631491 | 0.86 | ABCB1 (0.49) | NOTUMKMT2ALMNAMEN1ALDH1A1 | |
| SCHEMBL3628060 | 0.85 | ALKBH5 (0.37) | NOTUMALKBH5KMT2AMAPTLMNA | |
| SCHEMBL3631503 | 0.85 | ALDH1A1 (0.43) | KMT2AMAPTMEN1ALDH1A1KDM4E | |
| SCHEMBL4283426 | 0.83 | GRM1 (0.40) | ALDH1A1GRM1HTT | |
| SCHEMBL3633448 | 0.81 | NOTUM (0.43) | NOTUMLMNARPA1ALDH1A1ABCB1 | |
| SCHEMBL3633608 | 0.81 | ABCB1 (0.53) | NOTUMKMT2ALMNAMEN1KDM4E | |
| SCHEMBL3631115 | 0.81 | CA12 (0.43) | NOTUMALKBH5KMT2AMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| 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 |