Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | MARS1 | P56192 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3632208 | 0.85 | MAPK1 (0.35) | MAPK1KDM4ERORCCOMTLMNA | |
| SCHEMBL3631523 | 0.85 | MAPK1 (0.38) | MAPK1KDM4ERORCMEN1LMNA | |
| SCHEMBL1032110 | 0.81 | MEN1 (0.43) | MAPK1KDM4ECOMTCYP1A2MEN1 | |
| SCHEMBL3625416 | 0.80 | KDM4E (0.34) | MAPK1KDM4ECOMT | |
| SCHEMBL3635017 | 0.75 | GABRA2 (0.36) | MAPK1KDM4EMEN1KMT2A | |
| SCHEMBL3628896 | 0.73 | ALDH1A1 (0.45) | MAPK1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3627344 | 0.72 | MEN1 (0.57) | MAPK1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3632144 | 0.70 | ABCB1 (0.37) | KDM4EMEN1LMNAKMT2ACA12 | |
| SCHEMBL3628060 | 0.70 | ALKBH5 (0.37) | KDM4EMEN1LMNAKMT2A | |
| SCHEMBL3632614 | 0.68 | MEN1 (0.45) | MAPK1KDM4ECOMTCYP1A2MEN1 |
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 |