Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSPA5 | P11021 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3202573 | 0.88 | ALDH1A1 (0.72) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| SCHEMBL1246296 | 0.87 | HSPA5 (0.59) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| SCHEMBL27973507 | 0.83 | TSHR (0.45) | ALDH1A1TSHRGPR35SMN1; SMN2MEN1 | |
| SCHEMBL27279753 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| SCHEMBL20817180 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| SCHEMBL249846 | 0.80 | ALDH1A1 (0.68) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| Nitrophenolate SCHEMBL29360402 | 0.79 | GPR35 (0.65) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| Catechol SCHEMBL28052795 | 0.79 | GPR35 (0.65) | ALDH1A1GPR35HPGDL3MBTL1CTSB | |
| Nitrophenolate SCHEMBL26026 | 0.79 | GPR35 (0.65) | ALDH1A1TSHRGPR35HPGDL3MBTL1 | |
| Nitrophenolate SCHEMBL28029048 | 0.79 | GPR35 (0.65) | ALDH1A1TSHRGPR35HPGDL3MBTL1 |
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-107188771-A | Chiral synthesis method of gamma-nitrophenol compound | 浙江工业大学 | 2017-09-22 | — | — | CN | disclosed |