Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 10/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.44 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15897945 | 0.86 | TP53 (0.66) | NR1I2TP53ALOX12MAPTALDH1A1 | |
| SCHEMBL17454344 | 0.85 | MAPT (0.61) | NR1I2PTGS2MAPTALDH1A1KCNN4 | |
| SCHEMBL3406092 | 0.85 | HTT (0.61) | NR1I2TP53ALOX12MAPTALDH1A1 | |
| SCHEMBL17452650 | 0.82 | NR1I2 (0.50) | NR1I2MAPTALDH1A1SLC5A1SLC5A2 | |
| SCHEMBL19997265 | 0.81 | PTGS2 (0.51) | PTGS2TP53ALOX12MAPTALDH1A1 | |
| SCHEMBL20229575 | 0.79 | NR1I2 (0.54) | NR1I2ALDH1A1 | |
| SCHEMBL7988852 | 0.74 | NR1I2 (0.56) | NR1I2 | |
| SCHEMBL18172023 | 0.74 | MAPT (0.57) | NR1I2TP53MAPTALDH1A1HSD11B1 | |
| SCHEMBL20162992 | 0.74 | NPC1 (0.52) | PTGS2TP53MAPTALDH1A1 | |
| SCHEMBL30038295 | 0.74 | NPC1 (0.52) | PTGS2TP53MAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |