Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16046754 | 0.80 | SMN1; SMN2 (0.51) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL28256361 | 0.79 | LMNA (0.56) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL3076126 | 0.79 | — | — | |
| SCHEMBL8688505 | 0.78 | RAB9A (0.43) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL17186361 | 0.78 | RAB9A (0.57) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL18605177 | 0.76 | RAB9A (0.55) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL3064586 | 0.76 | — | — | |
| SCHEMBL27283642 | 0.76 | RAB9A (0.60) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL1468540 | 0.75 | — | — | |
| SCHEMBL3061588 | 0.75 | — | — |
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-108938628-A | A kind of composition and its application with anti-malarial activity | 锁浩 | 2018-12-07 | — | — | CN | claimed |
| CN-108938628-A | A kind of composition and its application with anti-malarial activity | 锁浩 | 2018-12-07 | — | — | CN | disclosed |