Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | TAF1 | P21675 | 1/20 | 0.30 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.30 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2148965 | 0.82 | HDAC1 (0.31) | — | |
| SCHEMBL2148940 | 0.80 | — | — | |
| SCHEMBL2149462 | 0.80 | — | — | |
| SCHEMBL2149199 | 0.79 | ALDH1A1 (0.36) | KMT2ARAB9AALDH1A1MAP2K2MAP2K1 | |
| SCHEMBL2149741 | 0.79 | PTGDR2 (0.35) | — | |
| SCHEMBL3243476 | 0.79 | ALDH1A1 (0.36) | KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2312069 | 0.78 | P2RY14 (0.39) | ALDH1A1 | |
| SCHEMBL3236146 | 0.77 | BRD4 (0.31) | KMT2AMAP2K2MAP2K1BRD4MEN1 | |
| SCHEMBL2314611 | 0.74 | CYP1A2 (0.36) | CYP2C19 | |
| SCHEMBL3230025 | 0.74 | PTGDR2 (0.35) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |