Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 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 | |
|---|---|---|---|---|
| SCHEMBL6937047 | 0.87 | CDK5 (0.38) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL27471621 | 0.87 | CDK5 (0.35) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL27933815 | 0.86 | CDK5 (0.35) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL586768 | 0.86 | RET (0.39) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL28286229 | 0.86 | CDK5 (0.35) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL28013347 | 0.84 | CDK5 (0.33) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL5149381 | 0.84 | RET (0.35) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL3825 | 0.84 | CDK5 (0.40) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL332530 | 0.84 | CDK5 (0.40) | NR1I3CDK5CDK5R1RETMAPK14 | |
| SCHEMBL901326 | 0.84 | CDK5 (0.40) | NR1I3CDK5CDK5R1RETMAPK14 |
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-6017935-A | 7-sulfur substituted paclitaxels | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-01-25 | — | — | US | disclosed |
| WO-1998047360-A1 | 7-SULFUR SUBSTITUTED PACLITAXELS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-10-29 | — | — | WO | disclosed |