Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.45 |
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.45 |
| ▸ | RELA | Q04206 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24981832 | 1.00 | APP (0.46) | APPRAB9AMAPTNPC1KDM4E | |
| SCHEMBL24981714 | 0.78 | MAPT (0.53) | APPRAB9AMAPTNPC1KDM4E | |
| SCHEMBL24982361 | 0.77 | CTSC (0.37) | — | |
| SCHEMBL28989386 | 0.77 | TP53 (0.41) | RAB9AMAPTNPC1KDM4EALDH1A1 | |
| SCHEMBL28989384 | 0.77 | TP53 (0.41) | RAB9AMAPTNPC1KDM4EALDH1A1 | |
| SCHEMBL24981830 | 0.77 | CTSK (0.45) | RAB9AMAPTNPC1KDM4EALDH1A1 | |
| SCHEMBL28989681 | 0.77 | CTSK (0.45) | RAB9AMAPTNPC1KDM4EALDH1A1 | |
| SCHEMBL28989680 | 0.75 | MAPT (0.42) | RAB9AMAPTNPC1KDM4EALDH1A1 | |
| SCHEMBL24981991 | 0.74 | AOC3 (0.38) | RAB9ANPC1POLB | |
| SCHEMBL28989366 | 0.74 | AOC3 (0.38) | RAB9ANPC1POLB |
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-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |