Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16672904 | 0.82 | PYCR1 (0.42) | TAAR1ALDH1A1TDP1HTTNPC1 | |
| SCHEMBL14609671 | 0.80 | TAAR1 (0.50) | TAAR1POLBALDH1A1TDP1HPGD | |
| SCHEMBL12181446 | 0.80 | TAAR1 (0.50) | TAAR1POLBALDH1A1TDP1HPGD | |
| SCHEMBL18386492 | 0.80 | ALDH1A1 (0.50) | TAAR1ALDH1A1TDP1HTTGAA | |
| SCHEMBL25763056 | 0.79 | TAAR1 (0.46) | TAAR1POLBALDH1A1TDP1HPGD | |
| SCHEMBL765891 | 0.78 | TAAR1 (0.39) | TAAR1HTTKDM4EACHECYP1A2 | |
| SCHEMBL16425426 | 0.78 | HTR2A (0.39) | TAAR1POLBALDH1A1HPGDACHE | |
| SCHEMBL25797732 | 0.78 | AMY1A (0.55) | ALDH1A1TDP1HPGDHTTGAA | |
| SCHEMBL16425421 | 0.78 | TAAR1 (0.35) | TAAR1ALDH1A1TDP1HPGDNPC1 | |
| SCHEMBL8845162 | 0.78 | CYP3A4 (0.43) | POLBALDH1A1HPGDHTTGAA |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |