Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30585257 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL29078385 | 0.89 | L3MBTL1 (0.67) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL29078398 | 0.84 | ALDH1A1 (0.62) | ALDH1A1KDM4EPOLBSIGMAR1TDP1 | |
| SCHEMBL30585245 | 0.82 | L3MBTL1 (0.56) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL29078390 | 0.81 | ALDH1A1 (0.72) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL30205269 | 0.81 | ALDH1A1 (0.72) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL28954806 | 0.81 | ALDH1A1 (0.72) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL6864563 | 0.80 | ALDH1A1 (0.65) | CYP1A2L3MBTL1KMT2AALDH1A1KDM4E | |
| SCHEMBL30585256 | 0.79 | L3MBTL1 (0.65) | CYP1A2CYP3A4L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL29078387 | 0.78 | SMN1; SMN2 (0.57) | CYP1A2KMT2AALDH1A1SMN1; SMN2LMNA |
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-116803981-A | Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof | 温州医科大学 | 2023-09-26 | — | — | CN | disclosed |