Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513684 | 0.94 | RAB9A (0.48) | RAB9ANPC1MEN1POLBKMT2A | |
| SCHEMBL30572187 | 0.86 | NPC1 (0.50) | RAB9ANPC1MEN1POLBKMT2A | |
| SCHEMBL28501871 | 0.83 | APP (0.44) | RAB9ANPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28499562 | 0.82 | VCP (0.60) | RAB9ANPC1MEN1POLBKMT2A | |
| SCHEMBL28513256 | 0.79 | VCP (0.40) | RAB9ANPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28509926 | 0.79 | VCP (0.40) | RAB9ANPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28503148 | 0.79 | MEN1 (0.47) | MEN1KMT2ASMN1; SMN2ALDH1A1APP | |
| SCHEMBL10069798 | 0.78 | APP (0.72) | RAB9ANPC1MEN1POLBKMT2A | |
| SCHEMBL28509442 | 0.76 | ASIC3 (0.45) | RAB9ANPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28501872 | 0.76 | VCP (0.51) | RAB9ANPC1MEN1POLBKMT2A |
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-112062735-B | Synthesis method of isoselenazole derivative | 温州大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-112159364-B | Synthetic method of isothiazole derivative | 温州大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-112159364-A | Synthetic method of isothiazole derivative | 温州大学 | 2021-01-01 | — | — | CN | disclosed |
| CN-112062735-A | Synthesis method of isoselenazole derivative | 温州大学 | 2020-12-11 | — | — | CN | disclosed |