Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4961016 | 0.88 | CYP17A1 (0.36) | SLC6A2SLC6A4SLC6A3CYP17A1CYP2C9 | |
| SCHEMBL4958557 | 0.84 | TNF (0.44) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP17A1 | |
| SCHEMBL4958071 | 0.84 | CYP19A1 (0.51) | SLC6A2SLC6A4SLC6A3CYP17A1CYP2C9 | |
| SCHEMBL4962287 | 0.84 | CYP17A1 (0.36) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP17A1 | |
| SCHEMBL4957486 | 0.84 | CYP1A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP2C19CYP1A2 | |
| SCHEMBL4959914 | 0.83 | SLC6A2 (0.40) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP17A1 | |
| SCHEMBL4960149 | 0.80 | SMN1; SMN2 (0.42) | SLC6A2SLC6A4SLC6A3CYP17A1CYP2C9 | |
| SCHEMBL4960868 | 0.80 | MAPT (0.41) | ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL4959372 | 0.80 | TNF (0.46) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP17A1 | |
| SCHEMBL4957281 | 0.79 | SLC6A3 (0.56) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP17A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |