Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 1-Nitropyrene SCHEMBL339725 | 0.96 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| 1-Nitropyrene SCHEMBL29450697 | 0.96 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| 1-Nitropyrene SCHEMBL28378090 | 0.94 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| 1-Nitropyrene SCHEMBL28624685 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| Pyrene SCHEMBL28292596 | 0.89 | HPRT1 (0.51) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL1804954 | 0.88 | TDP1 (0.50) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL29450698 | 0.88 | TDP1 (0.50) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL967910 | 0.88 | TDP1 (0.50) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| 1-Nitropyrene SCHEMBL8019945 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL28796982 | 0.86 | HPRT1 (0.51) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 |
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-115202153-A | Hard mask composition, hard mask layer and method for forming pattern | 三星SDI株式会社 | 2022-10-18 | — | — | CN | disclosed |