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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.61 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.61 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL9776224 | 0.96 | ALDH1A1 (0.61) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| SCHEMBL9847361 | 0.96 | ALDH1A1 (0.61) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| Water SCHEMBL9330414 | 0.94 | ALDH1A1 (0.59) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| Water SCHEMBL9330893 | 0.94 | ALDH1A1 (0.59) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| SCHEMBL9330897 | 0.81 | ALDH1A1 (0.68) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| SCHEMBL600479 | 0.81 | ALDH1A1 (0.68) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| SCHEMBL600478 | 0.81 | ALDH1A1 (0.68) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| Water SCHEMBL9776234 | 0.79 | ALDH1A1 (0.66) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| Water SCHEMBL9776229 | 0.79 | ALDH1A1 (0.66) | ALDH1A1MAPTNPSR1LMNAHPGD | |
| SCHEMBL4645504 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MAPTNPSR1LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0408108-A2 | Pharmaceutical compositions containing acrylic acid derivatives and their use in the medicine | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1991-01-16 | — | — | EP | disclosed |