Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL2525984 | 0.98 | PDCD1 (0.33) | PDCD1CD274CYP2A6ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL31386845 | 0.97 | PDCD1 (0.33) | PDCD1CD274CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL6553568 | 0.94 | PDCD1 (0.31) | PDCD1CD274CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL20496069 | 0.94 | PDCD1 (0.31) | PDCD1CD274CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL21980379 | 0.93 | PDCD1 (0.30) | PDCD1CD274 | |
| SCHEMBL8633271 | 0.92 | — | — | |
| SCHEMBL7849130 | 0.92 | PDCD1 (0.33) | PDCD1CD274ESR2 | |
| SCHEMBL2520449 | 0.88 | — | — | |
| SCHEMBL8633284 | 0.88 | CA12 (0.33) | ALDH1A1 | |
| SCHEMBL8630713 | 0.88 | PDCD1 (0.31) | PDCD1CD274 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001046201-A1 | GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 2001-06-28 | — | — | WO | disclosed |