Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.52 |
| ▸ | ACE | P12821 | 13/20 | 0.51 |
| ▸ | MME | P08473 | 2/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10566693 | 1.00 | CASP1 (0.52) | CASP1ACEMMEABCB11AGTR2 | |
| SCHEMBL10366456 | 0.94 | ACE (0.55) | CASP1ACEMMEABCB11AGTR2 | |
| Hydrochloric Acid SCHEMBL10565089 | 0.93 | KDM4E (0.55) | CASP1ACEMMEABCB11AGTR2 | |
| SCHEMBL10563892 | 0.92 | ACE (0.61) | CASP1ACEMMEABCB11AGTR2 | |
| SCHEMBL10367959 | 0.92 | ACE (0.61) | CASP1ACEMMEABCB11AGTR2 | |
| SCHEMBL10563850 | 0.92 | CASP1 (0.49) | CASP1ACEMMEABCB11AGTR2 | |
| SCHEMBL10367138 | 0.92 | CASP1 (0.49) | CASP1ACEMMEABCB11AGTR2 | |
| Hydrochloric Acid SCHEMBL10623465 | 0.92 | ACE (0.60) | CASP1ACEMMEABCB11AGTR2 | |
| SCHEMBL10566923 | 0.91 | ACE (0.61) | ACEMME | |
| SCHEMBL10366914 | 0.91 | ACE (0.61) | ACEMME |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0094095-B1 | BICYCLIC CARBOXYLIC ACIDS AND THEIR ALKYL AND ARALKYL ESTERS | F. HOFFMANN-LA ROCHE AG (CH) | 1990-09-19 | — | — | EP | claimed |
| EP-0094095-A2 | Bicyclic carboxylic acids and their alkyl and aralkyl esters | F. HOFFMANN-LA ROCHE AG (CH) | 1983-11-16 | — | — | EP | claimed |
| 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 |
| EP-0094095-A2 | Bicyclic carboxylic acids and their alkyl and aralkyl esters | F. HOFFMANN-LA ROCHE AG (CH) | 1983-11-16 | — | — | EP | disclosed |