Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31121821 | 0.76 | CTRC (0.36) | ALDH1A1TSHRKDM1ASIRT1 | |
| SCHEMBL28663778 | 0.74 | CRBN (0.50) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL10390133 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HPGDCES2MEN1KMT2A | |
| SCHEMBL9453674 | 0.74 | KMT2A (0.43) | ALDH1A1TSHRKMT2AAR | |
| SCHEMBL30825621 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL29169531 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL8818395 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL4872833 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL638641 | 0.72 | MAOB (0.45) | ALDH1A1TSHRL3MBTL1HTTMEN1 | |
| SCHEMBL9740200 | 0.72 | MAOB (0.45) | ALDH1A1TSHRL3MBTL1HTTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113171386-A | Traditional Chinese medicine plaster for treating rheumatic arthritis | 杭州仁德医药有限公司 | 2021-07-27 | — | — | CN | claimed |
| CN-113082083-A | Easily-torn traditional Chinese medicine ointment patch for allergic dermatitis and preparation method thereof | 杭州仁德医药有限公司 | 2021-07-09 | — | — | CN | claimed |
| CN-113171386-A | Traditional Chinese medicine plaster for treating rheumatic arthritis | 杭州仁德医药有限公司 | 2021-07-27 | — | — | CN | disclosed |
| CN-113082083-A | Easily-torn traditional Chinese medicine ointment patch for allergic dermatitis and preparation method thereof | 杭州仁德医药有限公司 | 2021-07-09 | — | — | CN | disclosed |