Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL28647361 | 0.98 | TSHR (0.68) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL2428435 | 0.98 | TSHR (0.68) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL11764321 | 0.98 | TSHR (0.68) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27708628 | 0.91 | TSHR (0.77) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27708638 | 0.89 | TSHR (0.74) | TSHRLMNACES2CES1ALDH1A1 | |
| Nitrobenzene SCHEMBL3237422 | 0.87 | ALDH1A1 (0.73) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27564057 | 0.87 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29291896 | 0.84 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL36632 | 0.84 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27442892 | 0.82 | TSHR (0.85) | TSHRLMNACES2CES1ALDH1A1 |
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-108047235-A | A kind of aromatic heterocyclic compounds and its application | 西安瑞联新材料股份有限公司 | 2018-05-18 | — | — | CN | disclosed |