Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 7/20 | 0.48 |
| ▸ | FEN1 | P39748 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL27639599 | 0.85 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AHPGDL3MBTL1 | |
| SCHEMBL6944426 | 0.85 | PTPN1 (0.67) | PTPN1ERCC5FEN1NPC1RAB9A | |
| SCHEMBL28217561 | 0.83 | CA12 (0.57) | RAB9ATHRAALDH1A1 | |
| SCHEMBL6943754 | 0.82 | PTPN1 (0.56) | PTPN1ERCC5FEN1NPC1RAB9A | |
| SCHEMBL6945641 | 0.80 | PTPN1 (0.71) | PTPN1ERCC5FEN1HAO1HDAC1 | |
| SCHEMBL6946238 | 0.79 | PTPN1 (0.53) | PTPN1ERCC5FEN1THRAHAO1 | |
| SCHEMBL6948165 | 0.78 | PTPN1 (0.61) | PTPN1ERCC5FEN1MEN1ALDH1A1 | |
| SCHEMBL17732028 | 0.77 | PDE4B (0.53) | PTPN1ERCC5FEN1SMN1; SMN2MEN1 | |
| SCHEMBL6943703 | 0.77 | PTPN1 (0.46) | PTPN1ERCC5FEN1SMN1; SMN2NPC1 | |
| SCHEMBL6948223 | 0.77 | NPC1 (0.47) | PTPN1ERCC5FEN1SMN1; SMN2NPC1 |
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 |