Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL38662128 | 0.85 | TSHR (0.47) | ALDH1A1KDM4EHPGDGLAGAA | |
| Acridine SCHEMBL2823221 | 0.84 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDGLAGAA | |
| Trifluoromethanesulfonic Acid SCHEMBL3855068 | 0.84 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL29376451 | 0.84 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL291182 | 0.84 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDGLAGAA | |
| Hydrochloric Acid SCHEMBL28881738 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL5854489 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDGLAGAA | |
| Nitric Acid SCHEMBL27968557 | 0.79 | KMT2A (0.49) | ALDH1A1KDM4EHPGDGLAGAA | |
| Nitric Acid SCHEMBL3961222 | 0.79 | KMT2A (0.49) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL31031113 | 0.77 | NQO2 (0.49) | ALDH1A1KDM4EGAAPOLBKMT2A |
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-106749185-A | The synthesis of acridine esters chemical luminous substrate DMAENHS | 湖南师范大学 | 2017-05-31 | — | — | CN | disclosed |