Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27593720 | 0.84 | ALDH1A1 (0.45) | CYP1A2TSHRMAPK1ALDH1A1GRIA2 | |
| SCHEMBL9710227 | 0.80 | CYP1A2 (0.73) | CYP1A2TSHRALDH1A1MAPTHPGD | |
| SCHEMBL9710218 | 0.80 | CYP1A2 (0.73) | CYP1A2TSHRALDH1A1MAPTHPGD | |
| SCHEMBL28107413 | 0.78 | CYP1A2 (0.51) | CYP1A2TSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL16971145 | 0.77 | CYP1A2 (0.49) | CYP1A2TSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1534292 | 0.75 | CYP1A2 (0.47) | CYP1A2TSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5802820 | 0.74 | POLB (0.51) | CYP1A2TSHRMAPK1ALDH1A1MAPT | |
| SCHEMBL30434455 | 0.73 | KMT2A (0.50) | CYP1A2TSHRMAPK1ALDH1A1GRIA2 | |
| SCHEMBL16971108 | 0.72 | TSHR (0.44) | CYP1A2TSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7486062 | 0.72 | KMT2A (0.41) | CYP1A2TSHRMAPK1ALDH1A1GRIA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106132406-A | β substituted γ aminoacid and analog as chemotherapeutics | 夸德里加生物科学公司 | 2016-11-16 | — | — | CN | disclosed |