Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 3/20 | 0.35 |
| ▸ | GSR | P00390 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1274665 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TDP1TYMSGAAMAPT | |
| SCHEMBL4087523 | 0.80 | TLR8 (0.46) | ALDH1A1HSD17B10TLR8CYP1A2THRB | |
| Decylamine SCHEMBL27611824 | 0.79 | DNM1 (0.50) | ALDH1A1TLR8 | |
| SCHEMBL27818709 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TDP1TYMSGAAMAPT | |
| Butylamine SCHEMBL29837394 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1HSD17B10TLR8CYP1A2 | |
| Pyrene SCHEMBL17256139 | 0.73 | DNM1 (0.50) | ALDH1A1HSD17B10CYP3A4TLR8CYP1A2 | |
| SCHEMBL15676550 | 0.73 | TSHR (0.51) | ALDH1A1KAT2BTDP1HSD17B10HPGD | |
| Decylamine SCHEMBL3148525 | 0.72 | TSHR (0.50) | ALDH1A1KAT2BTDP1 | |
| Hexane SCHEMBL27665073 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TDP1GAALMNAMAPT | |
| Octane SCHEMBL27664965 | 0.70 | KCNH2 (0.48) | ALDH1A1TDP1GAALMNAMAPT |
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-107098904-A | Application of 1,7, the Yi Zhong perylenes gulf containing nitro perylene diimides derivative and its in ammonia detection | 河南大学 | 2017-08-29 | — | — | CN | disclosed |