Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15530042 | 0.84 | ALDH1A1 (0.31) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL19305534 | 0.80 | CYP1A2 (0.41) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL5397303 | 0.79 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL288549 | 0.79 | CA1 (0.37) | ALDH1A1TSHRALOX12TDP1ACHE | |
| Water SCHEMBL7645615 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL22418826 | 0.77 | CYP1A2 (0.46) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL9305525 | 0.75 | CYP2A6 (0.35) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL3680748 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Naphthalene SCHEMBL27602315 | 0.73 | CYP2A6 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL3084278 | 0.73 | — | — |
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-103613618-B | A kind of [2.2] multiply biology and preparation method thereof and application to ring | JIANG University OF TECHNOLOGY (CN) | 2015-10-28 | — | — | CN | disclosed |