Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 SCHEMBL9595917 | 0.86 | CTSC (0.40) | HPGDCXCR3CTSC | |
| Trifluoroacetic Acid SCHEMBL6418158 | 0.84 | ALDH1A1 (0.41) | KDM4EALDH1A1CTSCPIM1HSD17B10 | |
| SCHEMBL9051214 | 0.79 | HRH3 (0.43) | HPGDCTSC | |
| SCHEMBL11253315 | 0.75 | GRIK1 (0.48) | KDM4EALDH1A1HPGDPIM1 | |
| SCHEMBL3173027 | 0.75 | GRIK1 (0.48) | KDM4EALDH1A1HPGDPIM1 | |
| Trifluoroacetic Acid SCHEMBL9054206 | 0.70 | KDM4E (0.36) | KDM4EALDH1A1HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL6419215 | 0.68 | HRH3 (0.43) | CTSC | |
| Trifluoroacetic Acid SCHEMBL6413883 | 0.67 | L3MBTL1 (0.38) | CTSC | |
| Trifluoroacetic Acid SCHEMBL16369908 | 0.67 | GRIK1 (0.61) | — | |
| SCHEMBL9813597 | 0.66 | NCEH1 (0.72) | NCEH1KDM4EALDH1A1HPGDFAAH |
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 |