Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698398 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL9468883 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL9511400 | 0.82 | TSHR (0.34) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL9511243 | 0.80 | SMN1; SMN2 (0.35) | ALDH1A1TSHRCASP1SMN1; SMN2CA12 | |
| SCHEMBL68449 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5080692 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL944411 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL69107 | 0.78 | CA1 (0.59) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL28534088 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL9508181 | 0.77 | KDM4E (0.46) | ALDH1A1CASP1AKR1C3TDP1KDM4E |
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-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |