Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.35 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3347259 | 0.81 | PTGDR2 (0.46) | KDM4EKMT2ASMN1; SMN2TP53BRD4 | |
| SCHEMBL3237136 | 0.80 | TYR (0.39) | KDM4EKMT2ABRD9BRD4MEN1 | |
| SCHEMBL3236371 | 0.80 | PTGDR2 (0.44) | RAB9AGFER | |
| SCHEMBL3238452 | 0.79 | BRD9 (0.36) | NPC1RAB9AKMT2ASMN1; SMN2BRD9 | |
| SCHEMBL3242838 | 0.79 | CASP3 (0.33) | MAPK1GFER | |
| SCHEMBL3244707 | 0.79 | KMT2A (0.38) | ALDH1A1KDM4ENPC1RAB9AKMT2A | |
| SCHEMBL3239397 | 0.79 | ALDH1A1 (0.40) | ALDH1A1GAARAB9ABRD4CECR2 | |
| SCHEMBL3232124 | 0.77 | HDAC1 (0.39) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL3243756 | 0.76 | BRD4 (0.36) | KDM4ENPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL2311708 | 0.76 | HSP90AA1 (0.35) | — |
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 1 patent. 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 | disclosed |