Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7570056 | 0.83 | OPRM1 (0.47) | OPRM1OPRK1TMEM97SIGMAR1SLC6A2 | |
| SCHEMBL4767101 | 0.78 | CTSD (0.37) | OPRM1SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL7426386 | 0.71 | RAB9A (0.45) | HPGDSMN1; SMN2TP53RAB9ANPC1 | |
| SCHEMBL7430902 | 0.70 | ALDH1A1 (0.38) | SLC6A2SLC6A4ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4763259 | 0.69 | CTSD (0.44) | SLC6A2SLC6A4ALDH1A1MEN1KMT2A | |
| SCHEMBL6404263 | 0.69 | CTSK (0.50) | — | |
| SCHEMBL6590467 | 0.69 | CTSK (0.42) | SMN1; SMN2TP53RAB9ANPC1MEN1 | |
| SCHEMBL6770905 | 0.69 | GHSR (0.38) | SLC6A2SLC6A4 | |
| SCHEMBL4766714 | 0.67 | GHSR (0.37) | SLC6A2SLC6A4HPGD | |
| SCHEMBL4936544 | 0.67 | GHSR (0.37) | SLC6A2SLC6A4HPGD |
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 |