Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | KLK1 | P06870 | 1/20 | 0.31 |
| ▸ | GLS | O94925 | 2/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.30 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL28799525 | 0.83 | OPRK1 (0.35) | LOXL2OPRK1CYP2D6OPRM1HRH3 | |
| SCHEMBL27896413 | 0.82 | CYP1A2 (0.39) | PARP1HRH3 | |
| SCHEMBL27896421 | 0.77 | KMT2A (0.42) | PARP1 | |
| SCHEMBL27879617 | 0.75 | NR1H2 (0.30) | — | |
| SCHEMBL28054871 | 0.74 | PIK3CD (0.39) | POLB | |
| SCHEMBL27879647 | 0.74 | VHL (0.49) | POLB | |
| SCHEMBL28054733 | 0.72 | — | — | |
| SCHEMBL27896399 | 0.71 | TSHR (0.42) | POLB | |
| SCHEMBL27879637 | 0.69 | CTSS (0.42) | OPRK1POLB | |
| SCHEMBL15652598 | 0.68 | POLB (0.40) | POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102791693-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-04-13 | — | — | CN | claimed |
| CN-102791693-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-11-21 | — | — | CN | claimed |