Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 4/20 | 0.40 |
| ▸ | DRD5 | P21918 | 4/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5519074 | 0.82 | DRD1 (0.54) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL19230502 | 0.80 | AKR1C3 (0.52) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL5518165 | 0.76 | DRD1 (0.50) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL28326141 | 0.72 | MAPT (0.53) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL12789449 | 0.71 | ALDH1A1 (0.49) | MAOBALDH1A1MAPTALDH1A3HPGD | |
| SCHEMBL19230513 | 0.71 | KDM4E (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL13580221 | 0.70 | ALDH1A1 (0.53) | MAOBALDH1A1MAPTALDH1A3HPGD | |
| SCHEMBL19230510 | 0.70 | WDR5 (0.49) | ALDH1A1MAPTSMN1; SMN2LMNAHPGD | |
| SCHEMBL17192800 | 0.69 | ALDH1A3 (0.66) | ALDH1A1MAPTSMN1; SMN2ALDH1A3ALDH3A1 | |
| SCHEMBL5515881 | 0.69 | HTR3E (0.56) | ALDH1A1MAPTLMNATIPARPDRD1 |
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-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |