Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.46 |
| ▸ | LOX | P28300 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 3/20 | 0.42 |
| ▸ | MGMT | P16455 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16886267 | 0.85 | LOXL2 (0.44) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL25388344 | 0.76 | LOXL2 (0.50) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL25909143 | 0.75 | GRM5 (0.45) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL1145877 | 0.74 | LOX (0.57) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL10157517 | 0.74 | LOXL2 (0.61) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL29411261 | 0.73 | RECQL (0.47) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL5312614 | 0.73 | LOX (0.47) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL1766223 | 0.73 | RECQL (0.47) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL21331552 | 0.71 | LOX (0.53) | LOXL2LOXRECQLLOXL3GRM5 | |
| SCHEMBL23931716 | 0.71 | MAOB (0.53) | LOXL2LOXRECQLLOXL3GRM5 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |