Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 2/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13154485 | 0.82 | TP53 (0.40) | LPLLIPGSLC6A4LMNASIGMAR1 | |
| SCHEMBL21426769 | 0.81 | TAAR1 (0.50) | KMT2AALDH1A1CYP1A2HTR1AADRA2A | |
| SCHEMBL25520634 | 0.81 | SMN1; SMN2 (0.36) | SLC6A4LMNASIGMAR1MEN1XBP1 | |
| SCHEMBL577213 | 0.77 | LPL (0.48) | LPLLIPGSLC6A4CYP3A4TSHR | |
| SCHEMBL943259 | 0.77 | LPL (0.48) | LPLLIPGALDH1A1CA2MGLL | |
| SCHEMBL9060210 | 0.76 | MAPT (0.40) | LPLLIPGLMNAMEN1KMT2A | |
| SCHEMBL7379151 | 0.76 | SIGMAR1 (0.34) | LPLLIPGSLC6A4LMNASIGMAR1 | |
| SCHEMBL24025403 | 0.76 | SLC6A4 (0.45) | SLC6A4LMNAESR1CYP2C9ADRB3 | |
| SCHEMBL20300154 | 0.76 | SLC6A4 (0.36) | SLC6A4LMNASIGMAR1MEN1XBP1 | |
| SCHEMBL9485870 | 0.76 | TSHR (0.39) | SLC6A4LMNASIGMAR1MEN1XBP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |