Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.62 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | STAT1 | P42224 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | TDP2 | O95551 | 2/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833707 | 0.85 | PDE3B (0.56) | CYP11B1CYP11B2CYP1A2HPGDMAPT | |
| Hydrochloric Acid SCHEMBL9833232 | 0.84 | PDE3B (0.55) | CYP11B1CYP11B2CYP1A2HPGDMAPT | |
| SCHEMBL10532655 | 0.78 | CYP11B1 (0.64) | CYP11B1CYP11B2HPGDMAPTKDM4E | |
| SCHEMBL29849827 | 0.77 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2TDP2CYP2C9 | |
| SCHEMBL29899622 | 0.77 | CYP11B1 (0.79) | CYP11B1CYP11B2CYP1A2TDP2CYP2C9 | |
| SCHEMBL3659028 | 0.77 | CYP11B1 (0.79) | CYP11B1CYP11B2CYP1A2TDP2CYP2C9 | |
| SCHEMBL29849907 | 0.77 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2TDP2CYP2C9 | |
| SCHEMBL748904 | 0.77 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2TDP2CYP2C9 | |
| SCHEMBL29899595 | 0.77 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP1A2TDP2CYP2C9 | |
| SCHEMBL10695333 | 0.76 | ALDH1A1 (0.55) | CYP11B1CYP11B2CYP1A2HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0161632-B1 | PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES | Roche Diagnostics GmbH (DE) | 1991-04-10 | — | — | EP | disclosed |
| US-4963686-A | INTERMEDIATES FOR INOTROPIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1990-10-16 | — | — | US | disclosed |
| EP-0161632-A2 | Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates | Roche Diagnostics GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |