Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 5/20 | 0.51 |
| ▸ | FEN1 | P39748 | 5/20 | 0.51 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.51 |
| ▸ | PPM1D | O15297 | 2/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9005566 | 0.83 | PPM1D (0.64) | PPM1DPLAUOPRM1OPRD1OPRK1 | |
| SCHEMBL9005670 | 0.83 | PPM1D (0.64) | PPM1DPLAUOPRM1OPRD1OPRK1 | |
| SCHEMBL28242711 | 0.79 | OPRM1 (0.59) | PPM1DPLAUOPRM1OPRD1OPRK1 | |
| SCHEMBL31277233 | 0.79 | NPC1 (0.56) | PPM1DPLAUNPC1 | |
| SCHEMBL7196671 | 0.75 | ERCC5 (0.66) | ERCC5FEN1HAO1PTPN1NPC1 | |
| SCHEMBL6940911 | 0.75 | PTPN1 (0.72) | ERCC5FEN1HAO1PTPN1 | |
| SCHEMBL23867591 | 0.73 | PPM1D (0.43) | PPM1DPLAUNPC1 | |
| SCHEMBL23867606 | 0.73 | PPM1D (0.43) | PPM1DPLAUOPRM1OPRD1OPRK1 | |
| Dimethylamine SCHEMBL6946035 | 0.73 | PTPN1 (0.68) | ERCC5FEN1HAO1PTPN1 | |
| SCHEMBL28317940 | 0.73 | FEN1 (0.58) | ERCC5FEN1HAO1PTPN1 |
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 |