Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL589908 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TDP1L3MBTL1CYP3A4GAA | |
| SCHEMBL10964124 | 0.82 | ALDH1A1 (0.67) | ALDH1A1TDP1L3MBTL1GAAMEN1 | |
| SCHEMBL28428409 | 0.78 | TDP1 (0.60) | ALDH1A1TDP1L3MBTL1GAAMEN1 | |
| SCHEMBL7912372 | 0.75 | TDP1 (0.67) | ALDH1A1TDP1CYP3A4ALOX15HSD17B10 | |
| SCHEMBL10526689 | 0.75 | TDP1 (0.74) | ALDH1A1TDP1L3MBTL1CYP3A4ALOX15 | |
| SCHEMBL1193308 | 0.75 | KMT2A (0.52) | ALDH1A1TDP1CYP3A4ALOX15HSD17B10 | |
| SCHEMBL9976072 | 0.74 | MEN1 (0.66) | ALDH1A1TDP1L3MBTL1GAALMNA | |
| Hydrochloric Acid SCHEMBL11587322 | 0.74 | TDP1 (0.55) | ALDH1A1TDP1L3MBTL1GAAMEN1 | |
| SCHEMBL2088309 | 0.74 | TDP1 (0.71) | ALDH1A1TDP1L3MBTL1MEN1NPC1 | |
| SCHEMBL7159716 | 0.74 | ALDH1A1 (0.71) | ALDH1A1TDP1L3MBTL1CYP3A4ALOX15 |
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-110041202-B | Preparation method of 1, 8-disubstituted naphthalene mononitration derivative | 长江大学 | 2022-04-19 | — | — | CN | disclosed |
| CN-110041203-A | A kind of 1,8- bis- replaces the preparation method of naphthalene system condensed-nuclei aromatics mono-nitration derivative | 长江大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-110041202-A | A kind of 1,8- bis- replaces the preparation method of naphthalene mono-nitration derivative | 长江大学 | 2019-07-23 | — | — | CN | disclosed |