Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 12/20 | 0.55 |
| ▸ | NPC1 | O15118 | 9/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29883001 | 0.80 | PTK2 (0.62) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL356367 | 0.80 | PTK2 (0.62) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL6611739 | 0.79 | RAB9A (0.62) | RAB9ANPC1MEN1KMT2ATSHR | |
| Ammonia Solution, Strong SCHEMBL27883856 | 0.79 | PTK2 (0.61) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL1067851 | 0.78 | TSHR (0.65) | RAB9ANPC1MEN1KMT2ATSHR | |
| Dimethylamine SCHEMBL6611746 | 0.77 | PTK2 (0.59) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL16166784 | 0.77 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL5689000 | 0.77 | RAB9A (0.60) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL8104147 | 0.77 | RAB9A (0.58) | RAB9ANPC1MEN1KMT2ATSHR | |
| SCHEMBL9769258 | 0.76 | RAB9A (0.55) | RAB9ANPC1MEN1KMT2ATSHR |
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-106117181-A | PI3K inhibitor and preparation method thereof and the application in pharmacy | 复旦大学 | 2016-11-16 | — | — | CN | disclosed |