Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046092 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL5098502 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL23559576 | 0.75 | KDM4E (0.45) | ALDH1A1HSD17B10TSHRMAPTKDM4E | |
| SCHEMBL13575544 | 0.73 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRMAPTKDM4E | |
| SCHEMBL5805015 | 0.72 | CYP3A4 (0.83) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL4570283 | 0.72 | CYP3A4 (0.59) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL250686 | 0.72 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL8788785 | 0.72 | ALDH1A1 (0.74) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL9717642 | 0.71 | CYP3A4 (0.69) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL28355427 | 0.71 | CYP3A4 (0.52) | ALDH1A1HSD17B10TSHRCYP3A4MAPT |
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-105228983-A | The compound regulated for kinases and indication thereof | PLEXXIKON INC | 2016-01-06 | — | — | CN | disclosed |