Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 2/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | SCD | O00767 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8594861 | 0.86 | ALDH1A1 (0.57) | ALDH1A1TSHRCCNE1CDK2CDK5 | |
| SCHEMBL11919154 | 0.84 | ALDH1A1 (0.70) | ALDH1A1TSHRCCNE1CDK2CDK5 | |
| SCHEMBL7352140 | 0.83 | SMN1; SMN2 (0.60) | ALDH1A1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL7372009 | 0.83 | RAB9A (0.46) | ALDH1A1TSHRCCNE1CDK2CDK5 | |
| SCHEMBL7379218 | 0.81 | NPC1 (0.49) | ALDH1A1TSHRCCNE1CDK2CDK5 | |
| SCHEMBL7379033 | 0.81 | KDR (0.51) | ALDH1A1TSHRCCNE1CDK2CDK5 | |
| SCHEMBL7381091 | 0.77 | HSD17B1 (0.44) | ALDH1A1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL4756006 | 0.75 | SCD (0.51) | ALDH1A1TSHRCCNE1CDK2CDK5 | |
| SCHEMBL7375409 | 0.75 | MAPK1 (0.54) | ALDH1A1TSHRRAB9AMAPTNPC1 | |
| SCHEMBL7348805 | 0.74 | MEN1 (0.71) | ALDH1A1TSHRRAB9AMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |