Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042714 | 0.97 | CHRM4 (0.43) | HSD11B1ALDH1A1ATMTP53KMT2A | |
| SCHEMBL20042651 | 0.88 | CHRM4 (0.52) | ALDH1A1SMN1; SMN2CYP1A2CHRM4ADORA2A | |
| SCHEMBL20042773 | 0.86 | CHRM4 (0.52) | ALDH1A1SMN1; SMN2CYP1A2CHRM4ADORA2A | |
| SCHEMBL20042834 | 0.85 | CHRM4 (0.56) | ALDH1A1SMN1; SMN2CYP1A2CHRM4ADORA2A | |
| SCHEMBL20042650 | 0.80 | USP19 (0.37) | CYP1A2CHRM4ADORA2AADORA1CNR1 | |
| SCHEMBL20042806 | 0.80 | CNR1 (0.47) | HSD11B1ALDH1A1KMT2ASMN1; SMN2CHRM4 | |
| SCHEMBL20042764 | 0.79 | CNR1 (0.49) | HSD11B1ALDH1A1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL20042748 | 0.78 | NPC1 (0.49) | ALDH1A1KMT2ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL20042690 | 0.77 | GFER (0.41) | ALDH1A1KMT2ACHRM4LMNAMEN1 | |
| SCHEMBL20042830 | 0.76 | ME2 (0.43) | ALDH1A1KMT2AMAPTMEN1 |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |