Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.53 |
| ▸ | HTR3B | O95264 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.53 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | NPY2R | P49146 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL653157 | 0.87 | CYP1A2 (0.67) | ALDH1A1POLBADRB1CYP2C19CYP1A2 | |
| SCHEMBL14562470 | 0.85 | ALDH1A1 (0.58) | ALDH1A1POLBCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL30595900 | 0.84 | ADRB1 (0.55) | ADRB1MEN1KMT2ARAB9A | |
| SCHEMBL27627256 | 0.83 | ALOX15 (0.56) | ALDH1A1POLBCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL27627299 | 0.83 | ALDH1A1 (0.56) | ALDH1A1POLBCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL27723918 | 0.83 | ALDH1A1 (0.82) | ALDH1A1POLBNPY2RL3MBTL1SMN1; SMN2 | |
| SCHEMBL2583030 | 0.83 | GAA (0.61) | ALDH1A1POLBSIGMAR1CYP2C19CYP1A2 | |
| SCHEMBL28288365 | 0.83 | PANK3 (0.54) | ALDH1A1POLBCYP2C19CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL5488736 | 0.82 | ALDH1A1 (0.54) | ALDH1A1POLBCYP2C19CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL6579257 | 0.81 | SMN1; SMN2 (0.58) | ALDH1A1POLBNPY2RCYP2C19CYP1A2 |
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-2013033250-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | QIAN XIANGPING (US) | 2013-03-07 | — | — | WO | disclosed |