Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL364693 | 0.86 | GABRA1 (0.50) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| SCHEMBL31155959 | 0.86 | GABRA1 (0.50) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| Methane SCHEMBL10700573 | 0.84 | GABRA1 (0.48) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| SCHEMBL9627663 | 0.82 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| SCHEMBL1333769 | 0.82 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| SCHEMBL18361548 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| SCHEMBL27763192 | 0.81 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 | |
| SCHEMBL29857523 | 0.78 | NOS3 (0.45) | L3MBTL1TSHRKDM4EHTTSLC6A2 | |
| SCHEMBL506508 | 0.78 | NOS3 (0.45) | L3MBTL1TSHRKDM4EHTTSLC6A2 | |
| SCHEMBL13177166 | 0.78 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1TSHRMMP2CHRM1 |
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-117881681-A | Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use | 赛诺菲 | 2024-04-12 | — | — | CN | disclosed |