Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 3/20 | 0.41 |
| ▸ | PDE1A | P54750 | 2/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL540962 | 0.82 | PDE1A (0.45) | MAPTALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL2815667 | 0.79 | BTK (0.43) | ADORA2AMAPTALDH1A1HPGDNPSR1 | |
| SCHEMBL540608 | 0.78 | MAPT (0.49) | ADORA1MAPTALDH1A1HSD17B10HPGD | |
| SCHEMBL13167764 | 0.68 | SMN1; SMN2 (0.40) | MAPTALDH1A1HPGDLMNAALOX15 | |
| SCHEMBL540359 | 0.66 | KDR (0.46) | MAPTALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL4455658 | 0.65 | ADORA2A (0.67) | ADORA2AADORA1MEN1KMT2A | |
| SCHEMBL10195525 | 0.65 | HSP90AA1 (0.60) | ADORA2AADORA1MAPTALDH1A1LMNA | |
| SCHEMBL540802 | 0.65 | MAPT (0.43) | MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL28899162 | 0.64 | NPBWR1 (0.56) | ALDH1A1HSD17B10NPBWR1PDE1APDE1B | |
| SCHEMBL541051 | 0.64 | SMN1; SMN2 (0.36) | MAPTALDH1A1LMNASMN1; SMN2KDM4E |
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-2414357-A1 | PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ArQule, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114904-A1 | PYRAZOLO-PYRROLOPYRIDINE-DIONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ARQULE, INC. (US) | 2010-10-07 | — | — | WO | disclosed |