Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 2/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28461127 | 0.85 | IDO1 (0.50) | IDO1SCN2ANPC1RAB9AKMO | |
| SCHEMBL14338262 | 0.83 | IDO1 (0.56) | IDO1SCN2ANPC1RAB9ANOTUM | |
| SCHEMBL40311 | 0.82 | TSHR (0.53) | IDO1SCN2ANPC1RAB9ANOTUM | |
| SCHEMBL29206336 | 0.81 | KMO (0.48) | IDO1SCN2ANPC1RAB9AKMO | |
| SCHEMBL2666275 | 0.81 | KMO (0.48) | IDO1SCN2ANPC1RAB9AKMO | |
| SCHEMBL6232790 | 0.81 | NOS3 (0.50) | IDO1SCN2ANPC1RAB9AKMO | |
| SCHEMBL30463196 | 0.81 | IDO1 (0.39) | IDO1SCN2ANPC1RAB9AKMO | |
| SCHEMBL29678302 | 0.80 | TSHR (0.58) | IDO1SCN2ANOTUMCTSSMAOB | |
| SCHEMBL1263144 | 0.80 | TSHR (0.58) | IDO1SCN2ANOTUMCTSSMAOB | |
| SCHEMBL14357355 | 0.80 | KIF11 (0.61) | CLK4DYRK1ACTSSCTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104884456-B | PI3K and/or mTOR inhibitors | 山东轩竹医药科技有限公司 | 2017-08-11 | — | — | CN | disclosed |
| CN-104884456-A | Pi3k and/or mtor inhibitor | KBP BIOSCIENCES CO LTD | 2015-09-02 | — | — | CN | disclosed |
| EP-1314732-A2 | Substituted pyrimidine compounds and their use | AMGEN INC. (US) | 2003-05-28 | — | — | EP | disclosed |