Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.58 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.58 |
| ▸ | ABAT | P80404 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.58 |
| ▸ | FDPS | P14324 | 1/20 | 0.54 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9529019 | 1.00 | ALDH1A1 (0.63) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL1965979 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| Hydrochloric Acid SCHEMBL1966184 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL24758378 | 0.81 | CYP1A1 (0.44) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL16960053 | 0.81 | CYP1A1 (0.44) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL16958135 | 0.81 | TRPA1 (0.58) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL6863993 | 0.81 | ALDH1A3 (0.49) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL15201273 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL10486972 | 0.78 | TTR (0.55) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL5308959 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 |
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-117916239-A | 3-Substituted 1H-pyrrolo [2,3-b ] pyridines as GRK5 modulators | 利德探索中心股份有限公司 | 2024-04-19 | — | — | CN | disclosed |