Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 4/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | RHOC | P08134 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9756726 | 1.00 | PTGS2 (0.39) | PTGS2KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL9764095 | 0.88 | ALDH1A1 (0.43) | PTGS2KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL9773730 | 0.82 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773733 | 0.82 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9764313 | 0.82 | PTGS2 (0.43) | PTGS2KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL9773724 | 0.82 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773614 | 0.82 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773612 | 0.82 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9319453 | 0.81 | ALDH1A1 (0.36) | PTGS2KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL9773618 | 0.79 | HMGCR (0.34) | KDM4EALDH1A1TDP1L3MBTL1HMGCR |
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-4992462-A | Inhibitor of HMG-CoA reductase | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |
| EP-0287890-A1 | Substituted pyrroles | BAYER AG (DE) | 1988-10-26 | — | — | EP | disclosed |