Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2912296 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL28526104 | 0.86 | ALDH1A1 (0.48) | ALDH1A1KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL15725834 | 0.85 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNAMAPTSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL3878149 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL20242265 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL28520443 | 0.81 | CYP19A1 (0.48) | ALDH1A1LMNAMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL28528987 | 0.81 | DRD2 (0.49) | ALDH1A1LMNAMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL10126926 | 0.78 | ALDH1A1 (0.69) | ALDH1A1KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL28525391 | 0.78 | DRD2 (0.47) | ALDH1A1LMNAMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL4362315 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KMT2ALMNAMAPTSMN1; 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-111836819-A | Arylamine-substituted pyrrolopyrimidine compound, and preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2020-10-27 | — | — | CN | disclosed |