Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | UBE2M | P61081 | 1/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4689695 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CTSKBCHEKDM4EUBE2M | |
| Hydrochloric Acid SCHEMBL6580455 | 0.87 | CTSK (0.47) | ALDH1A1CTSKUBE2MDCUN1D1CYP2D6 | |
| Hydrochloric Acid SCHEMBL27483445 | 0.87 | CTSK (0.47) | ALDH1A1CTSKUBE2MDCUN1D1CYP2D6 | |
| SCHEMBL4686419 | 0.86 | CTSK (0.56) | ALDH1A1CTSKBCHEUBE2MDCUN1D1 | |
| SCHEMBL4686417 | 0.86 | CTSK (0.56) | ALDH1A1CTSKBCHEUBE2MDCUN1D1 | |
| SCHEMBL5105355 | 0.82 | CTSK (0.57) | CTSK | |
| SCHEMBL5105358 | 0.82 | CTSK (0.57) | CTSK | |
| SCHEMBL5105364 | 0.82 | CTSK (0.57) | CTSK | |
| SCHEMBL17152610 | 0.82 | BACE1 (0.56) | ALDH1A1BCHEACHECYP2C19 | |
| SCHEMBL7401888 | 0.82 | BACE1 (0.56) | ALDH1A1BCHEACHECYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |