Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 3/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL540608 | 0.84 | MAPT (0.49) | MAPTSMN1; SMN2NPBWR1ALDH1A1LMNA | |
| SCHEMBL540537 | 0.82 | ADORA2A (0.41) | PDE1APDE1BPDE1CMAPTSMN1; SMN2 | |
| SCHEMBL540802 | 0.76 | MAPT (0.43) | MAPTSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL540762 | 0.70 | CYP1B1 (0.42) | MAPTSMN1; SMN2ALDH1A1HPGDNPSR1 | |
| SCHEMBL29049927 | 0.67 | PDE1B (0.50) | PDE1APDE1BPDE1CMAPTSMN1; SMN2 | |
| SCHEMBL29514413 | 0.67 | PDE1B (0.50) | PDE1APDE1BPDE1CMAPTSMN1; SMN2 | |
| SCHEMBL30758623 | 0.67 | RAB9A (0.68) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29168851 | 0.67 | RAB9A (0.68) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10195525 | 0.66 | HSP90AA1 (0.60) | PDE1APDE1BPDE1CMAPTSMN1; SMN2 | |
| SCHEMBL30579886 | 0.66 | TDP1 (0.64) | NPBWR1ALDH1A1HSD17B10 |
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 |