Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL181641 | 0.89 | — | — | |
| SCHEMBL29183240 | 0.85 | — | — | |
| Guanidine SCHEMBL4428313 | 0.85 | — | — | |
| Ethane SCHEMBL27569889 | 0.85 | — | — | |
| Bromide SCHEMBL11505134 | 0.85 | — | — | |
| SCHEMBL28868195 | 0.85 | — | — | |
| Methane SCHEMBL28838006 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL439854 | 0.85 | — | — | |
| Water SCHEMBL1971738 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL27469418 | 0.85 | — | — |
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-106279142-B | 5- [[4- [[morpholine -2-yl] methylamino]-5- (trifluoromethyl)-2- pyridyl group] amino] pyrazine-2- nitrile and its treatment use | 癌症研究技术有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-107207471-A | Combination for treating neuroblastoma | 伊尼塔公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-106279142-A | 5 [[4 [[morpholine 2 base] methylamino] 5 (trifluoromethyl) 2 pyridine radicals] amino] pyrazine 2 nitrile and treatment use thereof | 癌症研究技术有限公司 | 2017-01-04 | — | — | CN | disclosed |