Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TOP1 | P11387 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL6992085 | 0.88 | TSHR (0.54) | ALDH1A1KMT2AMEN1MAPK1GLA | |
| SCHEMBL12970664 | 0.86 | MEN1 (0.52) | ALDH1A1KMT2AMEN1MAPK1GLA | |
| SCHEMBL3139471 | 0.85 | FYN (0.52) | ALDH1A1MAPK1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL10743123 | 0.82 | SMN1; SMN2 (0.49) | ALDH1A1MAPK1TSHRCYP1A2CYP2C9 | |
| SCHEMBL10753182 | 0.82 | HPGDS (0.47) | ALDH1A1KMT2AMEN1MAPK1GLA | |
| SCHEMBL25167821 | 0.80 | ALDH1A1 (0.59) | ALDH1A1KMT2AHSD17B10LMNAKDM4E | |
| SCHEMBL12017964 | 0.80 | SMN1; SMN2 (0.67) | ALDH1A1KMT2AMEN1MAPK1GLA | |
| SCHEMBL28939429 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1TSHRHSD17B10 | |
| SCHEMBL6623243 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KMT2ARAB9AHSD17B10POLB | |
| SCHEMBL8223077 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KMT2AMEN1CYP1A2PTGS2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| US-4766130-A | 2-phenyl-imidazopyridin-ones and also useful as cardiotonics and anti-hypertensives | CELAMERCK GMBH & CO. KG (DE) | 1988-08-23 | — | — | US | disclosed |
| US-4746658-A | 2-phenyl-imidazo-pyrazines, -pyridazines and -triazines | DR. KARL THOMAE GMBH (DE) | 1988-05-24 | — | — | US | disclosed |
| US-4696931-A | CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1987-09-29 | — | — | US | disclosed |
| US-4670438-A | Imidazo[4,5-c]pyridazine-3-ones, imidazo[4,5-d]pyridazine-4-ones, imidazo[4,]pyrazin-5-ones, purin-2-ones, purin-6-ones, and purin-2,6-diones useful as hypotensive or cardiotonic agents | DR. KARL THOMAE GMBH (DE) | 1987-06-02 | — | — | US | disclosed |
| US-4656171-A | 2-phenyl-imidazo-pyrazines, useful as cardiotonics | DR. KARL THOMAE GMBH (DE) | 1987-04-07 | — | — | US | disclosed |
| EP-0209707-A2 | 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1987-01-28 | — | — | EP | disclosed |
| US-4582837-A | Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity | DR. KARL THOMAE GMBH (DE) | 1986-04-15 | — | — | US | disclosed |
| EP-0148438-A2 | Imidazole derivatives, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1985-07-17 | — | — | EP | disclosed |
| EP-0130461-A2 | Imidazoles, their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1985-01-09 | — | — | EP | disclosed |
| EP-0098448-A2 | Imidazole derivatives, their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1984-01-18 | — | — | EP | disclosed |