Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22142550 | 0.93 | HPRT1 (0.54) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL22653085 | 0.86 | HPRT1 (0.50) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL29517920 | 0.84 | HPRT1 (0.67) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL4847084 | 0.84 | HPRT1 (0.67) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL18600599 | 0.83 | HSD17B10 (0.50) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL297902 | 0.81 | HPRT1 (0.72) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL4847322 | 0.81 | HSD17B10 (0.65) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL29697319 | 0.81 | HPRT1 (0.72) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL30583321 | 0.81 | HPRT1 (0.72) | HPRT1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL30892665 | 0.81 | HPRT1 (0.72) | HPRT1HSD17B10ALDH1A1TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114031564-A | 13, 14-picene quinoxaline and 13, 14-picene diazole derivatives and preparation method thereof | 华东师范大学 | 2022-02-11 | — | — | CN | claimed |
| CN-114031564-A | 13, 14-picene quinoxaline and 13, 14-picene diazole derivatives and preparation method thereof | 华东师范大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-114031564-A | 13, 14-picene quinoxaline and 13, 14-picene diazole derivatives and preparation method thereof | 华东师范大学 | 2022-02-11 | — | — | CN | disclosed |