Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.40 |
| ▸ | MMP8 | P22894 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7482004 | 0.86 | ALDH1A1 (0.46) | HDAC6ALDH1A1GAAMMP9MMP8 | |
| SCHEMBL7478795 | 0.85 | LMNA (0.45) | HDAC6ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL7481304 | 0.84 | NPC1 (0.49) | PLK1ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL7480698 | 0.83 | AKR1B1 (0.48) | ALDH1A1NPC1RAB9AGAAMMP9 | |
| SCHEMBL7475641 | 0.82 | PTGS2 (0.44) | HDAC6ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL7474643 | 0.82 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AMMP9TDP1 | |
| SCHEMBL7477845 | 0.82 | MMP9 (0.42) | ALDH1A1MMP9MMP8TDP1MMP2 | |
| SCHEMBL7482164 | 0.82 | MMP2 (0.49) | PLK1ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL7484780 | 0.82 | MMP9 (0.46) | PLK1NPC1RAB9AMMP9MMP8 | |
| SCHEMBL7470955 | 0.80 | HTT (0.46) | ALDH1A1RAB9AGAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6472396-B1 | Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds | ROCHE DIAGNOSTICS GMBH (DE) | 2002-10-29 | — | — | US | claimed |
| EP-0869947-B1 | BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS | ROCHE DIAGNOSTICS GMBH (DE) | 2002-10-23 | — | — | EP | disclosed |