Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9339909 | 0.81 | TRPV3 (0.41) | SIGMAR1KDM1AGRIN1GRIN2AGRIN2B | |
| SCHEMBL9341809 | 0.79 | HSD11B1 (0.35) | SIGMAR1PDK2GRIN1GRIN2AGRIN2B | |
| SCHEMBL9339996 | 0.78 | BACE1 (0.41) | APPBACE1TP53SIGMAR1KDM1A | |
| SCHEMBL9339933 | 0.78 | TP53 (0.40) | TP53PDK2GRIN1GRIN2AGRIN2B | |
| SCHEMBL6902549 | 0.75 | SIGMAR1 (0.43) | SIGMAR1KDM1APDK2GRIN1GRIN2A | |
| SCHEMBL8126674 | 0.74 | CYP3A4 (0.47) | SIGMAR1KDM1ACYP17A1CYP3A4CYP11B1 | |
| SCHEMBL9340840 | 0.69 | TP53 (0.42) | BACE1TP53PDK2ALDH1A1TDP1 | |
| SCHEMBL7072344 | 0.69 | SLC18A3 (0.43) | APPBACE1SIGMAR1KDM1ACYP17A1 | |
| SCHEMBL12291014 | 0.69 | BACE1 (0.41) | APPBACE1TP53KDM1AOPRM1 | |
| SCHEMBL1143677 | 0.69 | CYP3A4 (0.46) | APPBACE1SIGMAR1KDM1AOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5356915-A | Antihypertensive and bronchodilator agents | J. URIACH & CIA. S.A. (ES) | 1994-10-18 | — | — | US | disclosed |
| EP-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | EP | disclosed |