Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.54 |
| ▸ | BACE1 | P56817 | 5/20 | 0.51 |
| ▸ | BCHE | P06276 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4884981 | 1.00 | ACHE (0.54) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL2676077 | 1.00 | ACHE (0.54) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL2676079 | 1.00 | ACHE (0.54) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL4513340 | 0.91 | ALDH1A1 (0.57) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL4636684 | 0.90 | ACHE (0.62) | ACHEBACE1BCHECCR3SIGMAR1 | |
| SCHEMBL13676573 | 0.87 | ACHE (0.57) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL13005299 | 0.87 | ACHE (0.57) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL13676574 | 0.87 | ACHE (0.57) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL9213703 | 0.86 | ACHE (0.53) | ACHEBACE1BCHECYP1A2CYP3A4 | |
| SCHEMBL22255202 | 0.86 | ALDH1A1 (0.50) | ACHEBACE1BCHEALDH1A1MEN1 |
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-2414368-A2 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | Achillion Pharmaceuticals, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115184-A2 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | WO | disclosed |