Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.81 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | MMP1 | P03956 | 1/20 | 0.59 |
| ▸ | MMP2 | P08253 | 1/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.59 |
| ▸ | MMP9 | P14780 | 1/20 | 0.59 |
| ▸ | MMP8 | P22894 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADH1B | P00325 | 1/20 | 0.46 |
| ▸ | ADH1C | P00326 | 1/20 | 0.46 |
| ▸ | ADH1A | P07327 | 1/20 | 0.46 |
| ▸ | ADH4 | P08319 | 1/20 | 0.46 |
| ▸ | ADH7 | P40394 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084899 | 1.00 | CYP2D6 (0.81) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL2839524 | 1.00 | CYP2D6 (0.81) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL3133945 | 0.98 | CYP2D6 (0.77) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL8396255 | 0.93 | — | — | |
| SCHEMBL4396576 | 0.87 | CYP2D6 (0.63) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL217411 | 0.87 | — | — | |
| SCHEMBL4396572 | 0.87 | CYP2D6 (0.63) | CYP2D6EPHX1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL4316280 | 0.85 | — | — | |
| SCHEMBL7776473 | 0.83 | EPHX1 (0.73) | CYP2D6EPHX1CA12CA1CA2 | |
| SCHEMBL5860133 | 0.83 | EPHX1 (0.73) | CYP2D6EPHX1CA12CA1CA2 |
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-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| US-4426523-A | Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-17 | — | — | US | disclosed |