Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | RPA1 | P27694 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3625416 | 0.88 | KDM4E (0.34) | MAPTALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL3635017 | 0.88 | GABRA2 (0.36) | MAPTALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL3626683 | 0.85 | NOTUM (0.42) | ALKBH5MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3631576 | 0.81 | ALDH1A1 (0.35) | MAPTALDH1A1KDM4EKMT2ALMNA | |
| SCHEMBL3632144 | 0.81 | ABCB1 (0.37) | MAPTKDM4EKMT2ALMNANOTUM | |
| SCHEMBL3634602 | 0.79 | NR4A3 (0.37) | KDM4E | |
| SCHEMBL3627548 | 0.76 | COMT (0.33) | ALDH1A1KDM4EKMT2ALMNANOTUM | |
| SCHEMBL3627357 | 0.76 | ALDH1A1 (0.35) | MAPTALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL3631503 | 0.76 | ALDH1A1 (0.43) | MAPTALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL3633919 | 0.74 | MEN1 (0.45) | ALDH1A1KDM4EKMT2ANOTUMMEN1 |
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 |