Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042654 | 0.97 | HSD11B1 (0.41) | CHRM4CYP1A2HSD11B1ALDH1A1ATM | |
| SCHEMBL20042834 | 0.88 | CHRM4 (0.56) | CHRM4CYP1A2ALDH1A1SMN1; SMN2ADORA2A | |
| SCHEMBL20042773 | 0.85 | CHRM4 (0.52) | CHRM4CYP1A2ALDH1A1SMN1; SMN2ADORA2A | |
| SCHEMBL20042651 | 0.85 | CHRM4 (0.52) | CHRM4CYP1A2ALDH1A1SMN1; SMN2ADORA2A | |
| SCHEMBL20042748 | 0.79 | NPC1 (0.49) | ALDH1A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL20042800 | 0.78 | CNR1 (0.45) | CHRM4CYP1A2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL20042806 | 0.78 | CNR1 (0.47) | CHRM4HSD11B1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL20042690 | 0.78 | GFER (0.41) | CHRM4ALDH1A1KMT2ALMNA | |
| SCHEMBL20042870 | 0.77 | KDM4E (0.35) | ALDH1A1SMN1; SMN2KMT2AHPGDLMNA | |
| SCHEMBL20042764 | 0.77 | CNR1 (0.49) | HSD11B1ALDH1A1SMN1; SMN2KMT2ALMNA |
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 |