Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29280630 | 0.91 | RAB9A (0.46) | RAB9ANPC1ALDH1A1HTTCES2 | |
| SCHEMBL29280645 | 0.90 | MEN1 (0.46) | RAB9ANPC1ALDH1A1HTTKMT2A | |
| SCHEMBL29280648 | 0.78 | SMN1; SMN2 (0.47) | RAB9ANPC1ALDH1A1HTTTP53 | |
| SCHEMBL29280605 | 0.78 | KMT2A (0.44) | RAB9ANPC1ALDH1A1CES2CES1 | |
| SCHEMBL2797715 | 0.78 | CES2 (0.50) | RAB9ANPC1HTTTSHRCES2 | |
| SCHEMBL29280618 | 0.76 | KCNN4 (0.44) | RAB9ANPC1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL21480088 | 0.75 | NPC1 (0.48) | RAB9ANPC1HTTTP53TSHR | |
| SCHEMBL14166571 | 0.75 | CYP2C9 (0.49) | RAB9ANPC1ALDH1A1CES2CES1 | |
| SCHEMBL29280633 | 0.74 | KCNN4 (0.51) | RAB9ANPC1ALDH1A1HTTKMT2A | |
| SCHEMBL3507981 | 0.73 | NPC1 (0.49) | RAB9ANPC1HTTTP53TSHR |
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-117777172-A | Benzo five-membered ring boric acid ester-3-carboxylic acid compound and application thereof | 四川大学 | 2024-03-29 | — | — | CN | disclosed |