Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TPH1 | P17752 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | ACACA | Q13085 | 2/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.35 |
| ▸ | GLI1 | P08151 | 1/20 | 0.34 |
| ▸ | GLI2 | P10070 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24902362 | 0.89 | PTGS2 (0.43) | PTGS1TPH1CYP2D6PTGS2TRPV1 | |
| SCHEMBL24902056 | 0.83 | TDP1 (0.41) | PTGS1TPH1PTGS2 | |
| SCHEMBL24902066 | 0.80 | PTGS1 (0.40) | PTGS1TPH1PTGS2 | |
| SCHEMBL30864377 | 0.78 | JAK2 (0.47) | TPH1MEN1CYP2D6KMT2AROCK2 | |
| SCHEMBL24902015 | 0.78 | JAK2 (0.47) | TPH1MEN1CYP2D6KMT2AROCK2 | |
| SCHEMBL24902043 | 0.76 | JAK1 (0.49) | ROCK2ROCK1 | |
| SCHEMBL30749810 | 0.75 | SIGMAR1 (0.39) | TPH1PRMT5 | |
| SCHEMBL26610240 | 0.72 | JAK2 (0.46) | TPH1ROCK2ROCK1TNK2 | |
| SCHEMBL24902073 | 0.71 | SIGMAR1 (0.39) | TPH1ACACBPRMT5ROCK2 | |
| SCHEMBL24902309 | 0.70 | PTGS1 (0.39) | PTGS1MEN1KMT2APTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023001045-A9 | EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海椿安生物医药科技有限公司 | 2023-10-26 | — | — | WO | disclosed |
| WO-2023001045-A1 | EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海椿安生物医药科技有限公司 | 2023-01-26 | — | — | WO | disclosed |