Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6136755 | 0.81 | KDM4E (0.49) | PARP1MEN1KMT2ATAAR1MAOB | |
| SCHEMBL5528278 | 0.79 | KDM4E (0.44) | MEN1KMT2ATAAR1KDM4E | |
| SCHEMBL7083027 | 0.79 | TAAR1 (0.47) | MEN1KMT2ATAAR1MAOBCYP11B1 | |
| SCHEMBL28227779 | 0.77 | CYP1A2 (0.46) | TAAR1MAOBIDO1KCNN4KDM4E | |
| SCHEMBL6950557 | 0.75 | MRGPRX4 (0.47) | MEN1KMT2AMAOB | |
| SCHEMBL17664392 | 0.74 | PARP1 (0.45) | PARP1MAPT | |
| SCHEMBL17663866 | 0.74 | MAPK1 (0.46) | PARP1MEN1KMT2AKDM4E | |
| SCHEMBL9200966 | 0.72 | TAAR1 (0.60) | TAAR1MAOBCYP11B1ADRA2CCYP11B2 | |
| SCHEMBL29442826 | 0.71 | BACE1 (0.50) | MEN1KMT2ATAAR1MAOBADK | |
| SCHEMBL4347152 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |