Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL4840200 | 1.00 | ALDH1A1 (0.34) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL4344584 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TP53ALOX15CYP2E1KDM4E | |
| SCHEMBL671182 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TP53ALOX15CYP2E1KDM4E | |
| SCHEMBL2427732 | 0.87 | CYP2E1 (0.35) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL2427730 | 0.87 | CYP2E1 (0.35) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL2431906 | 0.83 | CYP2E1 (0.35) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL2431909 | 0.83 | CYP2E1 (0.35) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL10264611 | 0.83 | CYP2E1 (0.40) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL15124246 | 0.83 | CYP2E1 (0.40) | ALDH1A1TP53ALOX15CYP2E1NPC1 | |
| SCHEMBL14290921 | 0.82 | KMT2A (0.41) | ALDH1A1SMN1; SMN2HTT |
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 | disclosed |
| WO-2008017688-A1 | 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-14 | — | — | WO | disclosed |