Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.67 |
| ▸ | GFER | P55789 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | 0.98 | ALDH1A1 (0.64) | ALDH1A1KMT2AGFERPOLBL3MBTL1 | |
| SCHEMBL7385730 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KMT2AGFERPOLBL3MBTL1 | |
| SCHEMBL7385779 | 0.85 | ALDH1A1 (0.68) | ALDH1A1KMT2AHSP90AA1LMNAEGFR | |
| SCHEMBL5356971 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERPOLBL3MBTL1 | |
| SCHEMBL10107784 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERPOLBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL10675086 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERPOLBLMNA | |
| Hydrochloric Acid SCHEMBL29354698 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERPOLBLMNA | |
| SCHEMBL10507206 | 0.78 | ALDH1A1 (0.96) | ALDH1A1KMT2AGFEREGFRMAPT | |
| Hydrochloric Acid SCHEMBL10670221 | 0.77 | ALDH1A1 (0.97) | ALDH1A1KMT2AGFERPOLBLMNA | |
| SCHEMBL2725965 | 0.75 | KMT2A (0.90) | ALDH1A1KMT2AGFEREGFRMAPT |
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 6 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 |
| WO-1994022840-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | disclosed |
| 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 | 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 |