Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | AADAC | P22760 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17845330 | 1.00 | ALDH1A1 (0.49) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 | |
| SCHEMBL28300945 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 | |
| SCHEMBL2524312 | 0.82 | TDP1 (0.58) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL2431059 | 0.81 | TDP1 (0.64) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 | |
| SCHEMBL30800293 | 0.81 | TDP1 (0.64) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 | |
| SCHEMBL16852115 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TDP1NPSR1SMN1; SMN2GPR35 | |
| SCHEMBL4725240 | 0.77 | TDP1 (0.48) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL3038035 | 0.77 | RAB9A (0.48) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 | |
| SCHEMBL30627320 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 | |
| SCHEMBL1999849 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1NPSR1TSHRSMN1; SMN2 |
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-112979631-B | PARG inhibiting compounds | 癌症研究科技有限公司 | 2024-09-20 | — | — | CN | disclosed |