Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.40 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10373574 | 1.00 | ALDH1A1 (0.45) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL3295702 | 0.93 | TSHR (0.39) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL10921977 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL10924543 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL3198964 | 0.87 | TSHR (0.50) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL26078304 | 0.85 | SMN1; SMN2 (0.38) | ALDH1A1TSHRSMN1; SMN2RAB9AGAA | |
| SCHEMBL7657312 | 0.85 | SMN1; SMN2 (0.38) | ALDH1A1TSHRSMN1; SMN2RAB9AGAA | |
| SCHEMBL5755287 | 0.85 | SMN1; SMN2 (0.38) | ALDH1A1TSHRSMN1; SMN2RAB9AGAA | |
| SCHEMBL27956667 | 0.84 | TSHR (0.46) | ALDH1A1TSHRRAB9AHSD17B10TP53 | |
| SCHEMBL759827 | 0.84 | TSHR (0.46) | ALDH1A1TSHRRAB9AHSD17B10TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-4798840-A | Coronary-active fluorine-containing 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1989-01-17 | — | — | US | disclosed |