Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11065565 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HPGDCD274PDCD1DHFR | |
| SCHEMBL11065624 | 0.81 | PDCD1 (0.51) | CD274PDCD1S1PR1S1PR3KDM4E | |
| SCHEMBL11068193 | 0.76 | PDCD1 (0.37) | HPGDCD274PDCD1DHFRKDM4C | |
| SCHEMBL11068838 | 0.71 | KMT2A (0.40) | ALDH1A1HPGDS1PR1KDM4EPOLB | |
| SCHEMBL562593 | 0.70 | CD274 (0.40) | CD274PDCD1S1PR1S1PR3DHFR | |
| SCHEMBL6078617 | 0.68 | ADRA1A (0.43) | ALDH1A1CD274PDCD1KDM4EADRA1A | |
| SCHEMBL8759380 | 0.67 | KDM4C (0.35) | CD274DHFRKDM4C | |
| SCHEMBL11066304 | 0.65 | PDCD1 (0.59) | CD274PDCD1S1PR1S1PR3KDM4E | |
| Isoquinoline SCHEMBL27763032 | 0.64 | KDM4C (0.48) | ALDH1A1HPGDDHFRKDM4CPOLB | |
| SCHEMBL6527857 | 0.63 | DCTPP1 (0.45) | CYP17A1ADRA1AADRA1BP2RX7 |
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-4426524-A | Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates | FMC CORPORATION (US) | 1984-01-17 | — | — | US | disclosed |