Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.61 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.50 |
| ▸ | FEN1 | P39748 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6944426 | 0.90 | PTPN1 (0.67) | PTPN1ERCC5FEN1KDM4EKMT2A | |
| SCHEMBL8087738 | 0.81 | MRGPRX4 (0.48) | KDM4EALDH1A1TDP1KMT2AMEN1 | |
| SCHEMBL7665038 | 0.80 | PTPN1 (0.74) | PTPN1ERCC5FEN1ALDH1A1KMT2A | |
| SCHEMBL6946974 | 0.79 | ERCC5 (0.62) | PTPN1ERCC5FEN1KMT2AMEN1 | |
| SCHEMBL6949523 | 0.78 | PTPN1 (0.53) | PTPN1ERCC5FEN1ALDH1A1KMT2A | |
| SCHEMBL6943340 | 0.77 | PTPN1 (0.74) | PTPN1ERCC5FEN1KDM4EKMT2A | |
| SCHEMBL6945660 | 0.77 | PTPN1 (0.73) | PTPN1ERCC5FEN1 | |
| Dimethylamine SCHEMBL6943573 | 0.77 | PTPN1 (0.69) | PTPN1ERCC5FEN1 | |
| SCHEMBL6948224 | 0.77 | PTPN1 (0.65) | PTPN1ERCC5FEN1 | |
| SCHEMBL6948227 | 0.77 | PTPN1 (0.77) | PTPN1ERCC5FEN1KDM4EKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | 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 |