Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.39 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28645748 | 0.86 | ALDH1A1 (0.39) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL26300313 | 0.82 | TSHR (0.38) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL22345272 | 0.82 | CHRM5 (0.36) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL24967165 | 0.82 | ALDH1A1 (0.39) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL10620663 | 0.81 | ALDH1A1 (0.35) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL15233097 | 0.81 | MLYCD (0.35) | ALDH1A1SMN1; SMN2TSHRGAARAB9A | |
| SCHEMBL11929073 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL12542180 | 0.79 | CHRM5 (0.34) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL9884588 | 0.78 | CHRM5 (0.46) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL26292675 | 0.78 | CHRM5 (0.33) | ALDH1A1CHRM5CHRM1CHRM3CHRM2 |
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-2023018471-A9 | PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 | TEXAS HEART INSTITUTE (US) | 2023-07-13 | — | — | WO | disclosed |