Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21790451 | 0.70 | ATM (0.45) | ATMCTSKRAB9ANPC1CYP2D6 | |
| SCHEMBL20735231 | 0.62 | DNM1 (0.34) | CACNA2D1 | |
| SCHEMBL23902067 | 0.62 | METAP1 (0.32) | CTSKCYP1A2 | |
| SCHEMBL6881605 | 0.61 | ALDH1A1 (0.39) | CTSKCACNA2D1RAB9ANPC1 | |
| SCHEMBL20008295 | 0.61 | CYP1A2 (0.38) | ATMCTSKCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL15773028 | 0.60 | ATM (0.62) | ATMRAB9ANPC1 | |
| SCHEMBL1678848 | 0.60 | METAP1 (0.33) | — | |
| SCHEMBL22363336 | 0.60 | FAAH (0.39) | ATMCTSKRAB9ANPC1CYP1A2 | |
| SCHEMBL1849345 | 0.59 | ATM (0.61) | ATMRAB9ANPC1 | |
| SCHEMBL23902066 | 0.59 | SHBG (0.37) | CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1105394-A1 | ISOXAZOLO 4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-06-13 | — | — | EP | claimed |
| WO-2000011003-A1 | ISOXAZOLO[4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-03-02 | — | — | WO | claimed |
| EP-1105394-A1 | ISOXAZOLO 4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000011003-A1 | ISOXAZOLO[4,5-d]PYRIMIDINES AS CRF ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-03-02 | — | — | WO | disclosed |