Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.35 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.35 |
| ▸ | GALR3 | O60755 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29849340 | 0.89 | ALDH1A1 (0.37) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL13453027 | 0.81 | NPC1 (0.42) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL11688273 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL4664064 | 0.77 | ELANE (0.34) | SPHK1ELANE | |
| SCHEMBL23386552 | 0.75 | PIK3CD (0.37) | SPHK1SMN1; SMN2PIK3CDELANEKAT2B | |
| SCHEMBL20713608 | 0.74 | TSHR (0.47) | ALDH1A1TSHRSPHK1GAARAB9A | |
| SCHEMBL1317530 | 0.74 | POLB (0.44) | ALDH1A1TSHRSMN1; SMN2LMNA | |
| SCHEMBL16454582 | 0.74 | PIK3CD (0.33) | SPHK1PIK3CDELANE | |
| SCHEMBL21641235 | 0.73 | ALDH1A1 (0.42) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL27539170 | 0.73 | SPHK1 (0.37) | SPHK1ELANEKAT2BBAZ2BPDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114685487-A | Pyrimidine heterocyclic compound, preparation method and application | 上海凌达生物医药有限公司 | 2022-07-01 | — | — | CN | disclosed |
| WO-2022135590-A1 | PYRIMIDO-HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海凌达生物医药有限公司 | 2022-06-30 | — | — | WO | disclosed |