Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29748635 | 0.87 | ALDH1A1 (0.50) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL31723295 | 0.86 | TDP1 (0.47) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL4456075 | 0.86 | ALDH1A1 (0.55) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL13169359 | 0.85 | ALDH1A1 (0.49) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL3736036 | 0.84 | ALDH1A1 (0.54) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL23750675 | 0.84 | ALDH1A1 (0.54) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL28888054 | 0.83 | ALDH1A1 (0.50) | SLC6A4ALDH1A1IDO1AGXTHTT | |
| SCHEMBL28385330 | 0.83 | ALDH1A1 (0.53) | ALDH1A1IDO1AGXTHTTLDHA | |
| SCHEMBL16124532 | 0.82 | RAB9A (0.49) | ALDH1A1AGXTMAPTNPC1RAB9A | |
| SCHEMBL8570835 | 0.82 | ALDH1A1 (0.55) | ALDH1A1IDO1AGXTHTTLDHA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108602841-A | New ammonium derivative, their preparation method and the pharmaceutical composition containing them | 法国施维雅药厂 | 2018-09-28 | — | — | CN | disclosed |
| CN-105263519-A | Compositions and methods for treating cancer | Univ Virginia Patent Found | 2016-01-20 | — | — | CN | disclosed |