Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8075792 | 0.78 | S1PR1 (0.38) | NQO2S1PR1S1PR3ALOX5HDAC1 | |
| SCHEMBL29958333 | 0.76 | ALOX5 (0.44) | S1PR1S1PR3ALOX5HDAC1CES2 | |
| SCHEMBL12066891 | 0.74 | ALOX5 (0.42) | ALOX5HDAC1CES2CES1HPGD | |
| SCHEMBL13455948 | 0.72 | ALOX5 (0.44) | ALOX5 | |
| SCHEMBL29957322 | 0.70 | CTSK (0.46) | ALOX5 | |
| SCHEMBL13455984 | 0.70 | ALOX5 (0.39) | ALOX5NPC1RAB9A | |
| SCHEMBL15974149 | 0.69 | ALOX5 (0.45) | ALOX5 | |
| SCHEMBL29951738 | 0.69 | CTRB1 (0.49) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15974563 | 0.67 | ALOX5 (0.44) | ALOX5 | |
| SCHEMBL6621767 | 0.66 | — | — |
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-4892942-A | 1-CARBA (DETHIA)CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1990-01-09 | — | — | US | disclosed |