Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | RORC | P51449 | 5/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL364816 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4ERORCPTGER4HPGD | |
| SCHEMBL365441 | 0.92 | ALDH1A1 (0.40) | ALDH1A1KDM4ERORCHPGDLMNA | |
| SCHEMBL366210 | 0.86 | HPGD (0.47) | ALDH1A1KDM4EPTGER4HPGDKDM1A | |
| SCHEMBL366978 | 0.85 | SCN9A (0.45) | ALDH1A1KDM4EHPGD | |
| SCHEMBL366383 | 0.83 | HPGD (0.40) | KDM4EPTGER4HPGDMEN1KMT2A | |
| SCHEMBL366252 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4ERORCPTGER4HPGD | |
| SCHEMBL366060 | 0.80 | LMNA (0.42) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL364894 | 0.79 | PSEN1 (0.39) | ALDH1A1KDM4ERORCPTGER4HPGD | |
| SCHEMBL365520 | 0.79 | POLB (0.46) | ALDH1A1KDM4EPTGER4HPGDMEN1 | |
| SCHEMBL367569 | 0.78 | SRC (0.46) | ALDH1A1KDM4ERORCHPGDKMT2A |
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-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |