Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18755261 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL31639655 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTADRB1SIRT6 | |
| SCHEMBL25447124 | 0.73 | SIRT6 (0.58) | ALDH1A1MAPTADRB1SIRT6KMT2A | |
| SCHEMBL31640140 | 0.70 | ALDH1A1 (0.57) | ALDH1A1MAPTKMT2AMEN1MAPK1 | |
| SCHEMBL22171341 | 0.70 | ALDH1A1 (0.57) | ALDH1A1MAPTKMT2AMEN1MAPK1 | |
| SCHEMBL29888859 | 0.68 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| Hydrochloric Acid SCHEMBL5292108 | 0.68 | ALDH1A1 (0.36) | ALDH1A1MAPTADRB1SIRT6KMT2A | |
| SCHEMBL10048030 | 0.67 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL24722869 | 0.66 | WDR5 (0.39) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL25193768 | 0.65 | POLB (0.40) | ALDH1A1TSHRTDP1GPR35CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022171034-A1 | BICYCLIC COMPOUND AS HPK1 INHIBITOR AND APPLICATION THEREOF | 江苏先声药业有限公司 | 2022-08-18 | — | — | WO | disclosed |