Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22322014 | 0.93 | ALDH1A1 (0.48) | ALDH1A1TSHRTP53CYP3A4ALOX15 | |
| SCHEMBL11325381 | 0.87 | MEN1 (0.44) | ALDH1A1ALOX15SMN1; SMN2HPGDHTT | |
| SCHEMBL11308363 | 0.86 | BTN3A1 (0.51) | PKMHPGDHTTBTN3A1LMNA | |
| SCHEMBL20710723 | 0.85 | SMN1; SMN2 (0.42) | ALDH1A1TSHRTP53CYP3A4ALOX15 | |
| SCHEMBL22322015 | 0.79 | PKM (0.47) | ALDH1A1TSHRTP53CYP3A4ALOX15 | |
| SCHEMBL777593 | 0.79 | CYP3A4 (0.53) | ALDH1A1TSHRCYP3A4HPGDHTT | |
| SCHEMBL777615 | 0.76 | SMN1; SMN2 (0.53) | ALDH1A1TSHRTP53CYP3A4ALOX15 | |
| SCHEMBL11365424 | 0.75 | PTPN1 (0.38) | SMN1; SMN2PKMLMNA | |
| SCHEMBL780821 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL337514 | 0.74 | — | — |
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-4257987-A | SYNERGISTIC ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-24 | — | — | US | disclosed |