Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PER2 | O15055 | 2/20 | 0.36 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720841 | 0.87 | SRD5A2 (0.35) | SRD5A2ALDH1A1KCNH2 | |
| SCHEMBL14720825 | 0.85 | TP53 (0.46) | SRD5A2ALDH1A1 | |
| SCHEMBL14720876 | 0.84 | FKBP1A (0.38) | PER2CRY2SRD5A2KCNH2AKR1C3 | |
| SCHEMBL14720875 | 0.84 | FKBP1A (0.38) | PER2CRY2SRD5A2KCNH2AKR1C3 | |
| SCHEMBL14720948 | 0.75 | SRD5A2 (0.39) | SRD5A2 | |
| SCHEMBL14721350 | 0.73 | HPGD (0.39) | SRD5A2MCHR1 | |
| SCHEMBL22330321 | 0.73 | FKBP1A (0.49) | PER2ALDH1A1 | |
| SCHEMBL14722534 | 0.71 | LMNA (0.46) | ACHEALDH1A1 | |
| SCHEMBL14720708 | 0.70 | SRD5A1 (0.35) | SRD5A2MCHR1 | |
| SCHEMBL14721266 | 0.70 | SRD5A1 (0.40) | SRD5A2MCHR1 |
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-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |