Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 4/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL8155536 | 0.86 | IMPDH2 (0.36) | S1PR1ARSCN9AS1PR3 | |
| SCHEMBL8149150 | 0.83 | NR3C1 (0.35) | S1PR1S1PR3 | |
| SCHEMBL7677950 | 0.82 | CYP11B1 (0.36) | S1PR1S1PR3 | |
| SCHEMBL8155413 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL8157364 | 0.77 | XDH (0.36) | — | |
| SCHEMBL5891827 | 0.75 | CYP19A1 (0.36) | — | |
| SCHEMBL7669882 | 0.74 | VNN1 (0.35) | SLC6A2SLC6A4 | |
| SCHEMBL18119750 | 0.70 | AR (0.40) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL7663652 | 0.69 | — | — | |
| SCHEMBL7675183 | 0.68 | KIF11 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6077853-A | Inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 2000-06-20 | — | — | US | disclosed |
| US-5939439-A | Inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1999-08-17 | — | — | US | disclosed |