Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL19546067 | 0.81 | IDO1 (0.48) | SLC6A2SLC6A3IDO1ACACBHTR2A | |
| SCHEMBL764989 | 0.80 | SLC6A2 (0.67) | SLC6A2SLC6A3SLC6A4IDO1HTR2A | |
| SCHEMBL2326795 | 0.78 | SLC6A2 (0.64) | SLC6A2SLC6A3SLC6A4IDO1ACACB | |
| SCHEMBL29327972 | 0.78 | TP53 (0.42) | ACACBTAAR1PPARGPPARACYP1A2 | |
| SCHEMBL27844428 | 0.77 | SLC6A2 (0.57) | SLC6A2SLC6A3SLC6A4IDO1ACACB | |
| SCHEMBL13898915 | 0.76 | TAAR1 (0.61) | SLC6A2TAAR1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL3037011 | 0.76 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4IDO1ACACB | |
| SCHEMBL4158699 | 0.76 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4IDO1ACACB | |
| SCHEMBL22229845 | 0.76 | SLC6A2 (1.00) | SLC6A2SLC6A3SLC6A4TAAR1CYP2A6 | |
| SCHEMBL4010409 | 0.76 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4IDO1ACACB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114716296-B | Efficient halogenation synthesis method of alkyl halide | 润药仁智(北京)科技有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-114716296-A | Efficient halogenation synthesis method of alkyl halide | 北京大学 | 2022-07-08 | — | — | CN | disclosed |