Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL27525224 | 0.91 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4CYP2A6 | |
| SCHEMBL27494670 | 0.91 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4CYP2A6 | |
| SCHEMBL29036028 | 0.77 | HTR1A (0.33) | — | |
| SCHEMBL28225548 | 0.75 | RXRB (0.32) | — | |
| SCHEMBL4079021 | 0.75 | PDCD1 (0.33) | PDCD1CD274CHRNB2CHRNA4CYP2A6 | |
| Hydrochloric Acid SCHEMBL397901 | 0.74 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL6457421 | 0.74 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL30449531 | 0.74 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL967172 | 0.74 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL7695860 | 0.74 | PDCD1 (0.31) | PDCD1CD274CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1190399-A | Process for converting achiral meso form or racemate of ansa-metallocene complex or mixtures thereof into one of its enantiomers | BASF AG (DE) | 1998-08-12 | — | — | CN | disclosed |