Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AGER | Q15109 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 5/20 | 0.35 |
| ▸ | LPAR5 | Q9H1C0 | 5/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21705018 | 1.00 | S1PR1 (0.43) | S1PR1ACHEAGERMTNR1AGPBAR1 | |
| SCHEMBL21704816 | 0.92 | S1PR1 (0.49) | S1PR1AGERGPBAR1LPAR1LPAR5 | |
| SCHEMBL21693611 | 0.92 | S1PR1 (0.39) | S1PR1ACHEGPBAR1LPAR1LPAR5 | |
| SCHEMBL21705017 | 0.89 | S1PR1 (0.41) | S1PR1ACHEAGERMTNR1AHSD17B10 | |
| SCHEMBL30221925 | 0.89 | S1PR1 (0.41) | S1PR1ACHEAGERMTNR1AHSD17B10 | |
| SCHEMBL21701267 | 0.89 | GPBAR1 (0.43) | S1PR1GPBAR1HDAC8HCRTR1HCRTR2 | |
| SCHEMBL29857251 | 0.88 | S1PR1 (0.41) | S1PR1ACHEAGERMTNR1AHSD17B10 | |
| SCHEMBL30222070 | 0.88 | NSD2 (0.41) | S1PR1GPBAR1LPAR1LPAR5HDAC8 | |
| SCHEMBL21701240 | 0.88 | NSD2 (0.41) | S1PR1GPBAR1LPAR1LPAR5HDAC8 | |
| SCHEMBL29180257 | 0.85 | CYP1A2 (0.42) | S1PR1ACHELPAR1LPAR5HDAC8 |
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-115872889-B | Method for preparing o-trifluoromethyl aniline compound | 沈阳中化农药化工研发有限公司 | 2024-10-18 | — | — | CN | disclosed |
| CN-115872889-A | Method for preparing o-trifluoromethylaniline compound | 沈阳中化农药化工研发有限公司 | 2023-03-31 | — | — | CN | disclosed |