Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14236795 | 0.88 | TSHR (0.62) | TSHRALDH1A1HPGDNPSR1MCOLN3 | |
| SCHEMBL10390209 | 0.84 | VCAM1 (0.62) | ALDH1A1HPGDNPSR1KMT2ASMN1; SMN2 | |
| SCHEMBL5914014 | 0.83 | TSHR (0.68) | TSHRCES2CES1ALDH1A1KMT2A | |
| SCHEMBL12352851 | 0.81 | TSHR (0.50) | TSHRCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL11182738 | 0.80 | TSHR (0.68) | TSHRCES2CES1ALDH1A1KMT2A | |
| SCHEMBL4220419 | 0.79 | TSHR (0.58) | TSHRCES2CES1ALDH1A1KMT2A | |
| SCHEMBL14533387 | 0.79 | VCAM1 (0.50) | ALDH1A1HPGDNPSR1KMT2ASMN1; SMN2 | |
| SCHEMBL3456436 | 0.79 | ALDH1A1 (0.57) | TSHRCES2CES1ALDH1A1KMT2A | |
| SCHEMBL283683 | 0.79 | TSHR (0.62) | TSHRCES2CES1ALDH1A1HPGD | |
| SCHEMBL17303445 | 0.79 | TSHR (0.77) | TSHRCES2CES1ALDH1A1HPGD |
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-112409332-B | Triazole derivative and application thereof in medicines | 广东东阳光药业股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-112409332-A | Triazole derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2021-02-26 | — | — | CN | disclosed |