Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | TDP2 | O95551 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833717 | 0.83 | PDE3B (0.54) | CYP11B1CYP11B2CYP1A2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL10470469 | 0.82 | PDE3B (0.52) | CYP11B1CYP11B2CYP1A2MAPTKDM4E | |
| SCHEMBL10695340 | 0.76 | KDM4E (0.45) | CYP11B1CYP11B2CYP1A2MAPTKDM4E | |
| SCHEMBL10698957 | 0.72 | CYP1A2 (0.44) | CYP11B1CYP11B2CYP1A2MAPTKDM4E | |
| SCHEMBL10566220 | 0.72 | ALDH1A1 (0.50) | MAPTKDM4EMAPK1MEN1KMT2A | |
| SCHEMBL9831252 | 0.72 | KDM4E (0.46) | MAPTKDM4EMAPK1MEN1RECQL | |
| SCHEMBL10698931 | 0.72 | KDM4E (0.41) | MAPTKDM4EMAPK1MEN1RECQL | |
| SCHEMBL10558735 | 0.71 | MAPT (0.48) | MAPTKDM4EMAPK1MEN1RECQL | |
| SCHEMBL1875587 | 0.70 | CYP11B1 (0.78) | CYP11B1CYP11B2CYP1A2PDE3BPDE3A | |
| SCHEMBL9831225 | 0.70 | KDM4E (0.44) | CYP1A2MAPTKDM4EMAPK1MEN1 |
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 |