Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL6296220 | 1.00 | MEN1 (0.38) | MEN1KMT2APOLBALOX5MAOB | |
| SCHEMBL6296219 | 1.00 | MEN1 (0.38) | MEN1KMT2APOLBALOX5MAOB | |
| SCHEMBL6303370 | 0.87 | THRB (0.45) | MEN1KMT2AALOX5LMNAKDM4E | |
| SCHEMBL6297746 | 0.86 | CYP4F2 (0.38) | MEN1KMT2APOLBLMNAKDM4E | |
| SCHEMBL6296415 | 0.86 | SMN1; SMN2 (0.44) | ALOX5LMNAALDH1A1AKR1C3TAAR1 | |
| SCHEMBL6303036 | 0.86 | ALDH1A1 (0.37) | MAOBALDH1A1HPGD | |
| SCHEMBL6298379 | 0.83 | GPBAR1 (0.34) | KDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL6297603 | 0.83 | NR3C2 (0.35) | MEN1KMT2ALMNAKDM4EALDH1A1 | |
| SCHEMBL6297601 | 0.83 | NR3C2 (0.35) | MEN1KMT2ALMNAKDM4EALDH1A1 | |
| SCHEMBL6296764 | 0.82 | NR3C2 (0.39) | — |
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-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |