Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.46 |
| ▸ | MME | P08473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.31 |
| ▸ | CASP1 | P29466 | 2/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL7348550 | 1.00 | ACE (0.46) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL7348554 | 1.00 | ACE (0.46) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL7339985 | 0.91 | ACE (0.56) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL7088512 | 0.91 | ACE (0.56) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL7088511 | 0.91 | ACE (0.56) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL645674 | 0.91 | ACE (0.56) | ACEMMECYP3A4TSHRTDP1 | |
| Water SCHEMBL10565338 | 0.90 | ACE (0.54) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL10563773 | 0.79 | ACE (0.33) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL6627295 | 0.79 | ACE (0.43) | ACEMMECYP3A4TSHRTDP1 | |
| SCHEMBL11203917 | 0.78 | CYP3A4 (0.34) | ACEMMECYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4808713-A | Anthypertensive pyridazo [1,2-a][1,2]diazepines | HOFFMAN-LA ROCHE INC. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4772701-A | Pyridazo[1,2]pyridazines and pyrazolo[1,2]pyridazines as antihypertensives | HOFFMANN-LA ROCHE INC. (US) | 1988-09-20 | — | — | US | disclosed |
| US-4658024-A | Pyrazolo [1,2-a][1,2]-diazepines useful as antihypertensives | HOFFMANN-LA ROCHE INC. (US) | 1987-04-14 | — | — | US | disclosed |
| US-4512924-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-04-23 | — | — | US | disclosed |