Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16129491 | 0.80 | PARP1 (0.46) | PARP1MAPTBRAFS1PR1MET | |
| SCHEMBL2298425 | 0.79 | PARP1 (0.45) | PARP1MAPTBRAFS1PR1CDC7 | |
| SCHEMBL22361949 | 0.79 | PARP1 (0.45) | PARP1MAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL13759404 | 0.78 | PARP1 (0.42) | PARP1MAPTALDH1A1KDM4EAPEX1 | |
| SCHEMBL28871077 | 0.75 | ALDH1A1 (0.47) | PARP1MAPTALDH1A1KDM4EAPEX1 | |
| SCHEMBL2431453 | 0.75 | PARP1 (0.42) | PARP1MAPTALDH1A1KDM4EBRAF | |
| SCHEMBL13759405 | 0.75 | PARP1 (0.45) | PARP1MAPTALDH1A1BRAFS1PR1 | |
| SCHEMBL15093877 | 0.73 | PARP1 (0.44) | PARP1MAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL11869664 | 0.72 | ALDH1A1 (0.50) | PARP1MAPTALDH1A1KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL20562251 | 0.72 | PARP1 (0.43) | PARP1MAPTALDH1A1KDM4ETDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |
| US-4174959-A | HERBICIDES, PLANT GROWTH REGULATORS | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1979-11-20 | — | — | US | disclosed |
| US-3954788-A | INTERMEDIATES FOR HERBIDIDES | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |
| US-3954438-A | 5-Trifluoromethyl-7-aminobenzimidazoles herbicides | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |
| US-3954438-A | 5-Trifluoromethyl-7-aminobenzimidazoles herbicides | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |
| US-3954792-A | 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |