Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.33 |
| ▸ | RBP4 | P02753 | 3/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL27712215 | 0.95 | KMT2A (0.35) | KMT2AALDH1A1TDP1MEN1LMNA | |
| SCHEMBL27732316 | 0.84 | HCAR1 (0.36) | RBP4HCRTR2TTR | |
| SCHEMBL27863611 | 0.83 | HSD11B1 (0.38) | KMT2AALDH1A1TDP1MEN1LMNA | |
| SCHEMBL28770717 | 0.83 | KDM4E (0.35) | KMT2AALDH1A1TDP1MEN1LMNA | |
| SCHEMBL27732213 | 0.82 | HSD11B1 (0.39) | KMT2AALDH1A1TDP1MEN1LMNA | |
| SCHEMBL27732200 | 0.81 | HCAR1 (0.42) | CYP2C9HCRTR2 | |
| SCHEMBL28774865 | 0.81 | HCAR1 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19RBP4 | |
| SCHEMBL27732197 | 0.80 | TSHR (0.38) | KMT2ATDP1MEN1LMNAMAPT | |
| SCHEMBL27732170 | 0.80 | PRKCZ (0.36) | ALDH1A1DRD4 | |
| SCHEMBL27712036 | 0.78 | ALDH1A1 (0.37) | KMT2AALDH1A1TDP1CYP3A4HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101243050-B | Pyrazolone derivatives | HOFFMANN LA ROCHE | 2012-07-04 | — | — | CN | disclosed |
| CN-101243050-A | Pyrazolone derivatives | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |