Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.56 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 4/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.45 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20138846 | 1.00 | GSK3A (0.56) | GSK3AGSK3BNPC1RAB9AALDH1A1 | |
| SCHEMBL20142928 | 0.85 | GSK3B (0.58) | GSK3AGSK3BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20142929 | 0.85 | GSK3B (0.58) | GSK3AGSK3BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20138806 | 0.83 | GSK3A (0.48) | GSK3AGSK3B | |
| SCHEMBL20138808 | 0.83 | GSK3A (0.48) | GSK3AGSK3B | |
| SCHEMBL18208170 | 0.83 | GSK3B (0.58) | GSK3AGSK3BMAPTADORA2AADORA2B | |
| SCHEMBL18208167 | 0.83 | GSK3B (0.58) | GSK3AGSK3BMAPTADORA2AADORA2B | |
| SCHEMBL20138815 | 0.82 | GSK3A (0.51) | GSK3AGSK3BALDH1A1SMN1; SMN2ADORA2B | |
| SCHEMBL20138814 | 0.82 | GSK3A (0.51) | GSK3AGSK3BALDH1A1SMN1; SMN2ADORA2B | |
| SCHEMBL20143022 | 0.81 | IRAK4 (0.63) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | claimed |
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |