Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950558 | 0.92 | ITK (0.39) | F2KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL27926719 | 0.78 | F2 (0.48) | F2KDM4EALDH1A1HPGDPDPK1 | |
| SCHEMBL4675001 | 0.77 | ALDH1A1 (0.38) | KDM4EALDH1A1HPGDLMNADAO | |
| SCHEMBL4675004 | 0.77 | ALDH1A1 (0.38) | KDM4EALDH1A1HPGDLMNADAO | |
| SCHEMBL6946214 | 0.76 | BRS3 (0.36) | KDM4EHSD17B10PPARGDAO | |
| Hydroxyamine SCHEMBL4796191 | 0.74 | NR4A2 (0.46) | F2KDM4EALDH1A1HPGDAPEX1 | |
| SCHEMBL4670507 | 0.74 | DAO (0.36) | KDM4EALDH1A1HPGDLMNADAO | |
| SCHEMBL4670505 | 0.74 | DAO (0.36) | KDM4EALDH1A1HPGDLMNADAO | |
| SCHEMBL977626 | 0.72 | F2 (0.70) | F2KDM4EALDH1A1HPGDTSHR | |
| SCHEMBL8105255 | 0.72 | MAPT (0.58) | KDM4EALDH1A1HPGDCYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | 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 |