Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.30 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8108945 | 0.77 | NPC1 (0.46) | HSD17B10ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL16452750 | 0.73 | MCL1 (0.34) | ALDH1A1EGFRSRCDRD3 | |
| SCHEMBL221024 | 0.72 | CA12 (0.37) | ALDH1A1SMN1; SMN2KDM4EMAPTGAA | |
| SCHEMBL5173116 | 0.65 | — | — | |
| SCHEMBL26241947 | 0.62 | KDM4E (0.40) | SMN1; SMN2KDM4EMAPTCSF1RFGFR1 | |
| SCHEMBL14364101 | 0.62 | PKM (0.37) | ALDH1A1SMN1; SMN2KDM4EHTTMAPT | |
| SCHEMBL25896767 | 0.61 | KDM4E (0.32) | SMN1; SMN2KDM4E | |
| SCHEMBL335332 | 0.59 | — | — | |
| SCHEMBL10961992 | 0.59 | NAMPT (0.42) | HSD17B10ALDH1A1SMN1; SMN2KDM4EBRD4 | |
| SCHEMBL3827167 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015031725-A1 | TRANSITION METAL-CATALYZED IMIDATION OF ARENES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-03-05 | — | — | WO | disclosed |