Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1493888 | 0.82 | PTGS1 (0.59) | HSD17B10TDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL1758774 | 0.79 | HSD17B10 (0.52) | HSD17B10TDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL13727692 | 0.78 | ADRB2 (0.50) | HSD17B10TDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL10680633 | 0.78 | TRPV4 (0.55) | HSD17B10TSHRALDH1A1CYP3A4TRPV4 | |
| SCHEMBL12133478 | 0.75 | ALDH1A1 (0.58) | HSD17B10TDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL4430697 | 0.74 | TRPV4 (0.47) | CYP3A4TRPV4KIF11CYP1A2CYP2C9 | |
| SCHEMBL30271733 | 0.74 | TRPV4 (0.47) | CYP3A4TRPV4KIF11CYP1A2CYP2C9 | |
| SCHEMBL21408578 | 0.73 | TRPA1 (0.39) | HSD17B10TDP1TSHRALDH1A1TRPV4 | |
| SCHEMBL28623523 | 0.73 | TRPV4 (0.46) | TRPV4KIF11 | |
| SCHEMBL27533485 | 0.73 | ALOX15 (0.50) | HSD17B10TDP1TSHRALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105164122-B | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | 拜耳制药股份公司 | 2018-02-02 | — | — | CN | disclosed |