Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 4/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | RHOC | P08134 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9773730 | 1.00 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773614 | 0.99 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773612 | 0.99 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773724 | 0.99 | KDM4E (0.35) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773618 | 0.90 | HMGCR (0.34) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773635 | 0.83 | HTT (0.31) | — | |
| SCHEMBL9773640 | 0.83 | HTT (0.31) | — | |
| SCHEMBL9756726 | 0.82 | PTGS2 (0.39) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9756723 | 0.82 | PTGS2 (0.39) | KDM4EALDH1A1TDP1L3MBTL1HMGCR | |
| SCHEMBL9773648 | 0.79 | HMGCR (0.42) | HMGCRSLCO1B1NR1I2ABCB11RHOC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4988711-A | HMG-CoA reductare-inhibiting N-substituted N-amino-pyrroles | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |