Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| SCHEMBL1182455 | 0.76 | CETP (0.52) | — | |
| SCHEMBL1182452 | 0.76 | CETP (0.52) | — | |
| SCHEMBL4457822 | 0.72 | MIF (0.68) | MIFKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL986565 | 0.69 | GRIN2D (0.53) | MIFKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL3761611 | 0.68 | MIF (0.47) | MIFKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL27979602 | 0.68 | MAPT (0.48) | KCNN4MAPTL3MBTL1 | |
| SCHEMBL18782528 | 0.66 | KCNN4 (0.81) | MIFKCNN4ALDH1A1CYP19A1 | |
| SCHEMBL28583666 | 0.66 | MIF (0.63) | MIFKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL8358159 | 0.66 | MAPT (0.45) | MIFKDM4EALDH1A1LMNAMAPT | |
| Urea SCHEMBL28292921 | 0.65 | ALDH1A1 (0.48) | KCNN4ALDH1A1MAPTNPC1CNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3113780-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134366-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-11 | — | — | WO | disclosed |