Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 9/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833325 | 0.94 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL9833104 | 0.84 | PGR (0.48) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL9833740 | 0.82 | MAPT (0.40) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL11020060 | 0.81 | MPI (0.34) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL9831111 | 0.78 | PGR (0.48) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL9831689 | 0.76 | MAPT (0.40) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL9832618 | 0.71 | PGR (0.40) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL9832041 | 0.71 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL27671281 | 0.70 | TDP1 (0.36) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL10470489 | 0.70 | MAPT (0.40) | CYP1A2CYP2C9CYP2C19TSHRMAPT |
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 2 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 |