Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7400371 | 0.85 | CYP2C9 (0.43) | CYP2C9CYP2C19CYP2D6RECQLMEN1 | |
| SCHEMBL9830227 | 0.74 | HTT (0.47) | CYP2C9CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL4882577 | 0.73 | CYP2C9 (0.44) | CYP2C9CYP2C19CYP2D6RECQLMEN1 | |
| SCHEMBL3635766 | 0.73 | CYP2C9 (0.44) | CYP2C9CYP2C19CYP2D6RECQLMEN1 | |
| SCHEMBL4756165 | 0.70 | TP53 (0.43) | CYP2C9CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL9033423 | 0.70 | MAPT (0.42) | CYP2C9CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL10827655 | 0.70 | F2RL3 (0.36) | CYP2C9CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL20801670 | 0.69 | CYP1A2 (0.55) | CYP2C9CYP2C19CYP2D6MEN1KMT2A | |
| SCHEMBL9102109 | 0.68 | TP53 (0.47) | MAPTLMNATSHRALDH1A1ADORA3 | |
| SCHEMBL9618019 | 0.68 | CYP2C9 (0.36) | CYP2C9CYP2C19CYP2D6RECQLMEN1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5001113-A | Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO., INC. (US) | 1991-03-19 | — | — | US | claimed |
| EP-0314239-A2 | Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups | MERCK & CO. INC. (US) | 1989-05-03 | — | — | EP | claimed |
| EP-0312291-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312157-A2 | Tetrapeptide renin inhibitors having a novel c-terminal amino acid | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312283-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| US-4782043-A | HYPOTENSIVES | MERCK & CO., INC. (US) | 1988-11-01 | — | — | US | claimed |
| EP-0209897-A2 | Peptide enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | claimed |
| EP-0163237-A2 | Di- and tri-peptidal renin inhibitors | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | claimed |
| EP-0129189-A2 | Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same | MERCK & CO. INC. (US) | 1984-12-27 | — | — | EP | claimed |
| US-5049548-A | Hypotensives | MERCK & CO., INC. (US) | 1991-09-17 | — | — | US | disclosed |
| EP-0438311-A2 | Di- and tripeptide renin inhibitors | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| US-5001113-A | Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO., INC. (US) | 1991-03-19 | — | — | US | disclosed |
| US-4812442-A | TREATMENT OF HYPERTENSION, CONCESTIVE HEART FAILURE | MERCK & CO., INC. (US) | 1989-03-14 | — | — | US | disclosed |
| US-4782043-A | HYPOTENSIVES | MERCK & CO., INC. (US) | 1988-11-01 | — | — | US | disclosed |
| US-4668770-A | HYPOTENSIVE, HYPOALDOSTERONISM | MERCK & CO., INC. (US) | 1987-05-26 | — | — | US | disclosed |
| EP-0209897-A2 | Peptide enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |
| EP-0163237-A2 | Di- and tri-peptidal renin inhibitors | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | disclosed |
| EP-0129189-A2 | Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same | MERCK & CO. INC. (US) | 1984-12-27 | — | — | EP | disclosed |