Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 7/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9263938 | 0.81 | CYP2D6 (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL7412829 | 0.81 | CYP2D6 (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL19790304 | 0.81 | CA1 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14923535 | 0.81 | CA1 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL6623815 | 0.78 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14384109 | 0.78 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL6637263 | 0.78 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL17282912 | 0.78 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14384110 | 0.78 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL9262937 | 0.78 | CYP2D6 (0.41) | CYP2D6CA1CA2CA7CTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5389647-A | A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects | ABBOTT LABORATORIES (US) | 1995-02-14 | — | — | US | disclosed |
| US-5244910-A | Treating hypertension, congestive heart failure | ABBOTT LABORATORIES (US) | 1993-09-14 | — | — | US | disclosed |
| WO-1992003429-A1 | RENIN INHIBITORS | ABBOTT LABORATORIES (US) | 1992-03-05 | — | — | WO | disclosed |