Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | SLC11A2 | P49281 | 2/20 | 0.35 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL1550977 | 0.84 | DPP4 (0.32) | TSHRKDM4E | |
| SCHEMBL4316385 | 0.83 | MEN1 (0.43) | GAAKDM4EMEN1KMT2ALMNA | |
| SCHEMBL3634622 | 0.81 | NOTUM (0.45) | SMN1; SMN2TSHRPOLBKDM4EMEN1 | |
| SCHEMBL1551329 | 0.80 | AKR1C3 (0.37) | POLBMEN1KMT2ALMNA | |
| SCHEMBL1550184 | 0.77 | ALDH1A1 (0.38) | GAAPOLBSLC11A2KDM4EKDM4C | |
| SCHEMBL3632665 | 0.77 | ABCB1 (0.50) | KDM4EMEN1KMT2ALMNA | |
| SCHEMBL3633358 | 0.77 | NOTUM (0.44) | SMN1; SMN2TSHRPOLBDHODHKDM4E | |
| SCHEMBL4284158 | 0.76 | ABCB1 (0.37) | — | |
| SCHEMBL4288252 | 0.76 | ABCB1 (0.37) | MEN1KMT2A | |
| SCHEMBL30174254 | 0.74 | TSHR (0.46) | SMN1; SMN2TSHRGAAPOLBALKBH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | claimed |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |