Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721626 | 0.80 | HRH3 (0.48) | ALDH1A1TSHRTAAR1HRH3ACP1 | |
| SCHEMBL28629479 | 0.80 | HRH3 (0.55) | ALDH1A1TSHRHSD17B10ALOX12L3MBTL1 | |
| SCHEMBL31054263 | 0.80 | LSS (0.60) | ALDH1A1TSHRTAAR1HRH3MAPT | |
| SCHEMBL27766437 | 0.79 | TSHR (1.00) | ALDH1A1TSHRTAAR1SLC6A2HRH3 | |
| SCHEMBL15900 | 0.79 | TSHR (1.00) | ALDH1A1TSHRTAAR1SLC6A2HRH3 | |
| SCHEMBL24735547 | 0.79 | TSHR (1.00) | ALDH1A1TSHRTAAR1SLC6A2HRH3 | |
| SCHEMBL5014268 | 0.79 | TSHR (1.00) | ALDH1A1TSHRTAAR1SLC6A2HRH3 | |
| SCHEMBL17423360 | 0.78 | KDM1A (0.66) | L3MBTL1LMNARECQLACP1MAPT | |
| SCHEMBL8721621 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRTAAR1HRH3ACP1 | |
| SCHEMBL11896612 | 0.77 | PYCR1 (0.72) | ALDH1A1TSHRCYP3A4LMNA |
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-108715589-B | Coumarin derivative used as caspase-3 activator and application thereof | 华侨大学 | 2021-04-20 | — | — | CN | disclosed |