Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943247 | 1.00 | CYP2C19 (0.47) | CYP2C19NR3C1PTPN1CNR2MEN1 | |
| SCHEMBL6943787 | 0.84 | PTPN1 (0.61) | NR3C1PTPN1MEN1KMT2ACRHBP | |
| SCHEMBL6943789 | 0.84 | PTPN1 (0.61) | NR3C1PTPN1MEN1KMT2ACRHBP | |
| SCHEMBL3306429 | 0.79 | LMNA (0.55) | MEN1KMT2ATSHR | |
| SCHEMBL3306434 | 0.79 | LMNA (0.55) | MEN1KMT2ATSHR | |
| SCHEMBL3306440 | 0.79 | LMNA (0.55) | MEN1KMT2ATSHR | |
| SCHEMBL653857 | 0.79 | CYP2C19 (0.58) | CYP2C19NR3C1PTPN1CNR2MEN1 | |
| SCHEMBL11353086 | 0.79 | CYP2C19 (0.58) | CYP2C19NR3C1PTPN1CNR2MEN1 | |
| SCHEMBL3305728 | 0.76 | NFE2L2 (0.64) | MEN1KMT2AAKT1TSHR | |
| SCHEMBL3305722 | 0.76 | NFE2L2 (0.64) | MEN1KMT2AAKT1TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |