Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL21617957 | 0.80 | KIF11 (0.46) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 | |
| SCHEMBL10280325 | 0.79 | CCNB2 (0.56) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 | |
| SCHEMBL30234429 | 0.79 | CCNB2 (0.56) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 | |
| SCHEMBL10067381 | 0.78 | AHR (0.57) | ALDH1A1KIF11HSD17B10GPR3TBXAS1 | |
| SCHEMBL25723809 | 0.76 | KIF11 (0.46) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 | |
| SCHEMBL13104334 | 0.76 | CCNB2 (0.49) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 | |
| SCHEMBL13408067 | 0.73 | TBXAS1 (0.56) | ALDH1A1KDM4EKIF11HSD17B10GPR3 | |
| SCHEMBL14602873 | 0.73 | KIF11 (0.43) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 | |
| SCHEMBL19126160 | 0.73 | ESR1 (0.58) | ALDH1A1KDM4EKIF11HSD17B10TBXAS1 | |
| SCHEMBL14597253 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KDM4ESMN1; SMN2KIF11HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |