Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3972288 | 0.89 | PTGS2 (0.38) | RAB9ANPC1KMT2APOLBHCAR2 | |
| SCHEMBL3971543 | 0.79 | POLB (0.44) | KMT2APOLBHCAR2GRM5ALDH1A1 | |
| SCHEMBL31200322 | 0.76 | CYP2A6 (0.41) | RAB9ANPC1POLBHCAR2ALDH1A1 | |
| SCHEMBL3972438 | 0.76 | MMP2 (0.44) | KMT2ASMN1; SMN2CYP2A6 | |
| SCHEMBL3972385 | 0.73 | ADORA2A (0.37) | KMT2ALMNAALDH1A1KDM4E | |
| SCHEMBL22445427 | 0.73 | LMNA (0.46) | RAB9ANPC1KMT2APOLBLMNA | |
| SCHEMBL3970935 | 0.72 | CYP11B2 (0.38) | POLBHCAR2ALDH1A1KDM4ECYP11B2 | |
| SCHEMBL4518431 | 0.72 | POLB (0.34) | RAB9ANPC1POLBHCAR2SMN1; SMN2 | |
| SCHEMBL25410263 | 0.69 | LMNA (0.49) | KMT2APOLBLMNAALDH1A1KDM4E | |
| SCHEMBL4508178 | 0.69 | PIP4K2A (0.48) | CYP11B2 |
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-2016068-A1 | PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS | AstraZeneca AB (SE) | 2009-01-21 | — | — | EP | disclosed |
| WO-2007129052-A1 | PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS | ASTRAZENECA AB (SE) | 2007-11-15 | — | — | WO | disclosed |