Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.60 |
| ▸ | ERCC5 | P28715 | 7/20 | 0.54 |
| ▸ | FEN1 | P39748 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GPR132 | Q9UNW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949384 | 0.88 | ERCC5 (0.46) | PTPN1ERCC5FEN1CYP1A2SMN1; SMN2 | |
| SCHEMBL18906030 | 0.83 | FOLH1 (0.51) | CYP1A2SMN1; SMN2CYP2C19POLBHPGD | |
| SCHEMBL6940911 | 0.83 | PTPN1 (0.72) | PTPN1ERCC5FEN1SMN1; SMN2HAO1 | |
| Dimethylamine SCHEMBL6946035 | 0.80 | PTPN1 (0.68) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6943298 | 0.80 | PTPN1 (0.46) | PTPN1ERCC5FEN1POLBHAO1 | |
| SCHEMBL6945699 | 0.79 | PTPN1 (0.56) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6947044 | 0.79 | FEN1 (0.53) | PTPN1ERCC5FEN1SMN1; SMN2HAO1 | |
| SCHEMBL7081332 | 0.78 | KMT2A (0.45) | CYP1A2SMN1; SMN2CYP2C19CYP2D6MAPT | |
| SCHEMBL6948009 | 0.77 | PTPN1 (0.57) | PTPN1ERCC5FEN1HAO1CYP3A4 | |
| SCHEMBL7196671 | 0.77 | ERCC5 (0.66) | PTPN1ERCC5FEN1SMN1; SMN2HAO1 |
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 |