Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 10/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12724232 | 0.83 | CDK9 (0.44) | ABL1 | |
| SCHEMBL1630845 | 0.79 | CES2 (0.42) | CES2CES1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL6032853 | 0.79 | KCNQ3 (0.38) | ABL1MAOBRAB9ANPC1LMNA | |
| SCHEMBL1633986 | 0.77 | CES2 (0.37) | CES2CES1 | |
| SCHEMBL1633909 | 0.77 | CES2 (0.37) | CES2CES1 | |
| SCHEMBL6032800 | 0.75 | PSEN1 (0.49) | MAOBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6032081 | 0.75 | NPC1 (0.39) | ABL1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6032111 | 0.74 | PSEN1 (0.41) | ALDH1A1PKMLMNA | |
| SCHEMBL1632790 | 0.74 | CES2 (0.34) | CES2CES1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL6032766 | 0.73 | PSEN1 (0.49) | ABL1RAB9ANPC1SMN1; SMN2ALDH1A1 |
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-1640366-A1 | HETEROCYCLIC METHYL SULFONE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-03-29 | — | — | EP | disclosed |