Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5160957 | 0.85 | IDO1 (0.59) | IDO1KDM4EGAAALDH1A1MAPK1 | |
| SCHEMBL7193007 | 0.83 | IDO1 (0.65) | IDO1KDM4EGAAALDH1A1MAPK1 | |
| SCHEMBL5957825 | 0.81 | FLT3 (0.61) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL9666519 | 0.81 | IDO1 (0.62) | IDO1KDM4EGAAALDH1A1MAPK1 | |
| SCHEMBL3329679 | 0.80 | FLT3 (0.59) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL30411827 | 0.80 | IDO1 (0.60) | IDO1KDM4EGAAALDH1A1MAPK1 | |
| SCHEMBL5313957 | 0.79 | FLT3 (0.57) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL5164244 | 0.79 | IDO1 (0.59) | IDO1KDM4EGAAALDH1A1MAPK1 | |
| SCHEMBL3334185 | 0.79 | FLT3 (0.57) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL5164287 | 0.78 | KDM4E (0.71) | IDO1KDM4EGAAALDH1A1MAPK1 |
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-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | claimed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | claimed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |