Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL29956635 | 0.78 | CYP2A6 (0.48) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL1202061 | 0.78 | CYP2A6 (0.48) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL2338713 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL28318632 | 0.77 | CYP2A6 (0.47) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL6157317 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL6157320 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL12408769 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2A6PDPK1NPC1PLAU | |
| SCHEMBL3163853 | 0.74 | KDM4E (0.60) | CYP1A2CYP2A6PDPK1NPC1RAB9A | |
| SCHEMBL3163852 | 0.74 | KDM4E (0.60) | CYP1A2CYP2A6PDPK1NPC1RAB9A | |
| SCHEMBL8719613 | 0.74 | NPC1 (0.50) | CYP1A2CYP2A6PDPK1NPC1PLAU |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944594-A4 | INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA | LILLY CO ELI (US) | 2000-05-03 | — | — | EP | disclosed |
| EP-0944594-A1 | INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA | ELI LILLY AND COMPANY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025895-A1 | INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA | ELI LILLY AND COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |