Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27955600 | 0.84 | CYP1A2 (0.57) | CYP1A2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL6981215 | 0.81 | HRH3 (0.45) | KDM5BKDM5AKDM5CALDH1A1KDM4E | |
| SCHEMBL12228832 | 0.76 | CYP1A2 (0.59) | CYP1A2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL25239216 | 0.76 | ALDH1A1 (0.46) | CYP1A2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL31140705 | 0.76 | ALDH1A1 (0.46) | CYP1A2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL6984025 | 0.75 | KDM5B (0.44) | CYP1A2KDM5BKDM5AKDM5CKDM4C | |
| SCHEMBL25284311 | 0.75 | KDM4E (0.49) | CYP1A2ALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL164477 | 0.74 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL489624 | 0.74 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL17846703 | 0.74 | HCRTR1 (0.43) | HCRTR1HCRTR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | claimed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | claimed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | claimed |
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | disclosed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | disclosed |