Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9152723 | 0.80 | MAOB (0.45) | MAOBCYP3A4SLC22A6SLC22A8MEN1 | |
| SCHEMBL1097867 | 0.79 | ACHE (0.41) | CYP3A4ALDH1A1TDP1CA2TSHR | |
| SCHEMBL158115 | 0.77 | ACHE (0.36) | CYP3A4MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL15474681 | 0.77 | MAOB (0.42) | MAOBCYP3A4SLC22A6SLC22A8MEN1 | |
| SCHEMBL1299740 | 0.77 | MAOB (0.42) | MAOBCYP3A4SLC22A6SLC22A8MEN1 | |
| SCHEMBL7959656 | 0.77 | MAOB (0.42) | MAOBCYP3A4SLC22A6SLC22A8MEN1 | |
| SCHEMBL1636806 | 0.74 | GAA (0.42) | MEN1RAB9AKMT2AALDH1A1HPGD | |
| SCHEMBL6856632 | 0.74 | ALDH1A1 (0.43) | CYP3A4MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL1636803 | 0.74 | TUBB1 (0.33) | CYP3A4RAB9AALDH1A1HTTMAPT | |
| SCHEMBL929797 | 0.74 | — | — |
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-115078581-A | Method for identifying components of radix bupleuri, cassia twig and dried ginger decoction-free preparation based on UHPLC-Q-TOF/MS | 上海长征医院 | 2022-09-20 | — | — | CN | disclosed |
| CN-109568496-B | Detection method of traditional Chinese medicine composition for treating diabetes | 陈浩 | 2021-03-30 | — | — | CN | disclosed |
| US-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |