Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | EBP | Q15125 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5903600 | 1.00 | ALDH1A1 (0.43) | ALDH1A1OPRM1DRD2DRD4DRD3 | |
| SCHEMBL8504151 | 0.74 | KMT2A (0.45) | ALDH1A1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL8503957 | 0.74 | KMT2A (0.45) | ALDH1A1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL16079189 | 0.72 | DRD2 (0.42) | ALDH1A1OPRM1DRD2DRD4DRD3 | |
| SCHEMBL27498335 | 0.72 | SMN1; SMN2 (0.42) | ALDH1A1OPRM1DRD2DRD4DRD3 | |
| SCHEMBL7417637 | 0.71 | KMT2A (0.44) | ALDH1A1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL11705199 | 0.69 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL8504022 | 0.69 | ALDH1A1 (0.40) | ALDH1A1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL11824172 | 0.69 | DRD2 (0.46) | ALDH1A1OPRM1DRD2DRD4DRD3 | |
| SCHEMBL2436941 | 0.67 | DRD2 (0.45) | ALDH1A1OPRM1DRD2DRD4DRD3 |
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-0804410-A1 | METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES | G.D. SEARLE & CO. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996022275-A1 | METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES | G.D. SEARLE & CO. (US) | 1996-07-25 | — | — | WO | disclosed |