Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | MPI | P34949 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7214356 | 0.86 | ALDH1A1 (0.64) | ALDH1A1MAPTKMT2ALMNAHSP90AA1 | |
| SCHEMBL7388677 | 0.85 | ALDH1A1 (0.67) | ALDH1A1MAPTKMT2ALMNAHSP90AA1 | |
| SCHEMBL4632544 | 0.85 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2ALMNAKDM4E | |
| SCHEMBL7385730 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2A | |
| SCHEMBL321369 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2ALMNACYP2C19 | |
| SCHEMBL501352 | 0.76 | ALDH1A1 (0.82) | ALDH1A1MAPTKMT2ALMNAKDM4E | |
| SCHEMBL8917488 | 0.75 | KMT2A (0.67) | ALDH1A1MAPTKMT2ALMNACYP2C19 | |
| SCHEMBL6500535 | 0.75 | ALDH1A1 (0.67) | ALDH1A1MAPTKMT2ALMNACYP2C19 | |
| SCHEMBL9779465 | 0.75 | ALDH1A1 (0.67) | ALDH1A1MAPTKMT2ALMNACYP2C19 | |
| SCHEMBL21077881 | 0.74 | TSHR (0.71) | ALDH1A1MAPTKMT2ALMNAKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | claimed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | disclosed |