Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4779290 | 1.00 | CYP2E1 (0.33) | CYP2E1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL4844784 | 0.93 | PDE4D (0.35) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL4844797 | 0.93 | PDE4D (0.35) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL4780478 | 0.93 | ALDH1A1 (0.38) | CYP2E1GAAPDE4DALDH1A1 | |
| SCHEMBL4780473 | 0.93 | ALDH1A1 (0.38) | CYP2E1GAAPDE4DALDH1A1 | |
| SCHEMBL4794493 | 0.87 | CYP2E1 (0.34) | CYP2E1ALDH1A1 | |
| SCHEMBL4794496 | 0.87 | CYP2E1 (0.34) | CYP2E1ALDH1A1 | |
| SCHEMBL4795648 | 0.86 | ALDH1A1 (0.37) | NPC1RAB9AMAPTPDE4DALDH1A1 | |
| SCHEMBL4795652 | 0.86 | ALDH1A1 (0.37) | NPC1RAB9AMAPTPDE4DALDH1A1 | |
| SCHEMBL4147225 | 0.83 | PDE4D (0.34) | NPC1RAB9AMAPTPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008017688-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-14 | — | — | WO | claimed |
| WO-2008017688-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-14 | — | — | WO | disclosed |