Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 7/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10385800 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP3A4USP2KDM4EALDH1A1 | |
| SCHEMBL29740313 | 0.73 | NCF1 (0.45) | CYP1A2CYP3A4USP2KDM4EALDH1A1 | |
| SCHEMBL4268865 | 0.73 | NCF1 (0.45) | CYP1A2CYP3A4USP2KDM4EALDH1A1 | |
| SCHEMBL1153496 | 0.71 | — | — | |
| SCHEMBL30125106 | 0.71 | — | — | |
| SCHEMBL1586687 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP3A4USP2KDM4EALDH1A1 | |
| SCHEMBL12015 | 0.71 | CCR1 (0.41) | TDP1CCR1CCR5CCR8RXRA | |
| SCHEMBL29520064 | 0.71 | CCR1 (0.41) | TDP1CCR1CCR5CCR8RXRA | |
| SCHEMBL5750346 | 0.71 | CCR1 (0.57) | CYP1A2CYP3A4CYP2D6CCR1CCR5 | |
| SCHEMBL10568966 | 0.71 | CYP1A2 (0.40) | CYP1A2CYP3A4USP2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1455788-A1 | 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS | ELI LILLY AND COMPANY (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003049737-A1 | CHEMICAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2003-06-19 | — | — | WO | disclosed |