Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21400207 | 1.00 | GAA (0.51) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14198757 | 1.00 | GAA (0.51) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6005671 | 0.86 | CYP3A4 (0.52) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL9780834 | 0.86 | CYP3A4 (0.52) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14198754 | 0.81 | HDAC8 (0.57) | EPHX1HDAC8HDAC3HDAC1HDAC2 | |
| SCHEMBL28322156 | 0.81 | HDAC8 (0.47) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL15745971 | 0.81 | HDAC8 (0.57) | EPHX1HDAC8HDAC3HDAC1HDAC2 | |
| SCHEMBL6306721 | 0.81 | CYP3A4 (0.47) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL26431186 | 0.79 | GAA (0.48) | GAACYP3A4CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL21400206 | 0.79 | NPC1 (0.46) | KMT2A |
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-2328902-A1 | PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS | Novartis AG (CH) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010015628-A1 | PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS | NOVARTIS AG (CH) | 2010-02-11 | — | — | WO | disclosed |