Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8750126 | 0.74 | KDM4E (0.47) | CYP1A2CYP1B1KDM4EALDH1A1MCL1 | |
| SCHEMBL8737213 | 0.71 | CCR1 (0.34) | CCR1CCR5CCR8 | |
| SCHEMBL16806277 | 0.68 | CCR1 (0.32) | CYP1A2CYP1B1CCR1CCR5CCR8 | |
| SCHEMBL3362853 | 0.68 | MAOB (0.59) | CYP1A2KDM4EALDH1A1MCL1CYP3A4 | |
| SCHEMBL8750157 | 0.67 | CTRC (0.48) | CYP1A2CYP1B1KDM4EALDH1A1MCL1 | |
| SCHEMBL16806272 | 0.67 | KDM4E (0.41) | CYP1A2CYP1B1KDM4EALDH1A1MCL1 | |
| SCHEMBL19297000 | 0.66 | GPR55 (0.50) | CYP1A2CYP1B1KDM4EALDH1A1MCL1 | |
| SCHEMBL1115503 | 0.63 | ALDH1A1 (0.66) | CYP1A2CYP1B1KDM4EALDH1A1MCL1 | |
| SCHEMBL8750122 | 0.63 | PON1 (0.49) | KDM4EALDH1A1GAALMNAMAPT | |
| SCHEMBL26346444 | 0.62 | ERN1 (0.44) | CYP1A2CYP1B1KDM4EALDH1A1MCL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008123756-A1 | A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA | SK CHEMICALS CO., LTD. (KR) | 2008-10-16 | — | — | WO | claimed |
| WO-2008123756-A1 | A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA | SK CHEMICALS CO., LTD. (KR) | 2008-10-16 | — | — | WO | disclosed |