Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9595924 | 0.85 | CHRM2 (0.39) | KDM4EALDH1A1CHRM3 | |
| Trifluoroacetic Acid SCHEMBL6418154 | 0.82 | KDM4E (0.42) | KDM4EALDH1A1HSD17B10ENPP2CHRM3 | |
| SCHEMBL9051219 | 0.79 | CHRM2 (0.41) | CHRM3 | |
| SCHEMBL12507730 | 0.73 | MEN1 (0.42) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| SCHEMBL7770420 | 0.70 | HDAC6 (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL8279087 | 0.70 | MEN1 (0.42) | KDM4EALDH1A1HSD17B10ENPP2MCL1 | |
| Trifluoroacetic Acid SCHEMBL9054201 | 0.70 | NCEH1 (0.38) | KDM4EALDH1A1HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL6663289 | 0.69 | SCN9A (0.41) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| SCHEMBL12849162 | 0.67 | MEN1 (0.41) | KDM4EALDH1A1HSD17B10ENPP2MEN1 | |
| SCHEMBL12416119 | 0.66 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10ENPP2MEN1 |
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-0696277-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO. INC. (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994022480-A1 | HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-10-13 | — | — | WO | disclosed |