Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | ITK | Q08881 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22307347 | 0.80 | PTPN1 (0.54) | PTPN1KDM4EHSD17B10USP2HPGD | |
| SCHEMBL20266985 | 0.79 | PTPN1 (0.52) | PTPN1KDM4EHSD17B10USP2HPGD | |
| SCHEMBL17014766 | 0.78 | GAA (0.51) | PTPN1KDM4EHSD17B10USP2HPGD | |
| SCHEMBL20267071 | 0.78 | PTPN1 (0.51) | PTPN1KDM4EHSD17B10USP2HPGD | |
| SCHEMBL20287868 | 0.76 | BCHE (0.47) | PTPN1GAAMAPT | |
| SCHEMBL18493700 | 0.74 | PTPN1 (0.45) | PTPN1KDM4EHSD17B10USP2HPGD | |
| SCHEMBL22040413 | 0.73 | PTPN1 (0.47) | PTPN1KDM4EHSD17B10USP2HPGD | |
| SCHEMBL17267000 | 0.73 | PTPN1 (0.79) | PTPN1KDM4EWNT3AL3MBTL1PTPN11 | |
| SCHEMBL31265773 | 0.73 | PTPN1 (0.85) | PTPN1L3MBTL1PTPN11SMN1; SMN2HTT | |
| SCHEMBL4449880 | 0.73 | RAB9A (0.60) | HPGDSMN1; SMN2MAPTHTTNPC1 |
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-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |