Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12326164 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL2633660 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL1402759 | 0.76 | ALDH1A1 (0.79) | ALDH1A1CYP3A4CYP1A1CYP1B1CA12 | |
| SCHEMBL2955343 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL13622586 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL10932995 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL3749321 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL282134 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL9173991 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP1A1CYP1B1CA12 | |
| SCHEMBL701066 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1674477-A2 | Binding polypeptides for B lymphocyte stimulator protein (BLYS) | Dyax Corp. (US) | 2006-06-28 | — | — | EP | disclosed |