Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1150483 | 0.80 | CYP2C9 (0.46) | KDM4EALDH1A1GAAHTTTSHR | |
| SCHEMBL6645274 | 0.76 | ERCC1 (0.57) | ALDH1A1TSHRKMT2AERCC1FEN1 | |
| SCHEMBL3534739 | 0.76 | ERCC1 (0.47) | SMN1; SMN2ERCC1FEN1ERCC4 | |
| SCHEMBL6645591 | 0.76 | ERCC1 (0.47) | SMN1; SMN2ERCC1FEN1ERCC4 | |
| SCHEMBL6651068 | 0.75 | ERCC1 (0.52) | SMN1; SMN2ERCC1FEN1ERCC4 | |
| SCHEMBL6645309 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2MAPTTP53 | |
| SCHEMBL5115498 | 0.73 | TSHR (0.46) | KDM4EALDH1A1GAATSHRSMN1; SMN2 | |
| SCHEMBL6649380 | 0.71 | ERCC1 (0.54) | SMN1; SMN2ERCC1FEN1ERCC4 | |
| SCHEMBL6649175 | 0.70 | ALDH1A1 (0.41) | KDM4EALDH1A1GAAERCC1FEN1 | |
| SCHEMBL5765798 | 0.70 | TP53 (0.44) | ALDH1A1TSHRSMN1; SMN2KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441735-A1 | N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035077-A1 | N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | disclosed |