Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.56 |
| ▸ | RAF1 | P04049 | 1/20 | 0.56 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.56 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.56 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16068255 | 0.85 | KIF11 (0.67) | KIF11EPHX2MAOBKDM1ANOTUM | |
| SCHEMBL1263144 | 0.85 | TSHR (0.58) | KIF11MAOBKDM1ANOTUMIDO1 | |
| SCHEMBL29678302 | 0.85 | TSHR (0.58) | KIF11MAOBKDM1ANOTUMIDO1 | |
| SCHEMBL7673510 | 0.84 | MAPK14 (0.57) | KIF11NPC1RAB9AEPHX2MAPK13 | |
| SCHEMBL29420699 | 0.83 | KIF11 (0.62) | KIF11MAOBKDM1ANOTUMIDO1 | |
| SCHEMBL26827704 | 0.83 | MAOB (0.62) | KIF11MAOBKDM1ANOTUMIDO1 | |
| SCHEMBL307920 | 0.83 | KIF11 (0.62) | KIF11MAOBKDM1ANOTUMIDO1 | |
| Ammonia Solution, Strong SCHEMBL20472961 | 0.83 | MAOB (0.56) | KIF11MAOBKDM1ANOTUMIDO1 | |
| SCHEMBL7607492 | 0.81 | KIF11 (0.50) | KIF11NPC1RAB9AEPHX2 | |
| SCHEMBL24106776 | 0.81 | KIF11 (0.67) | KIF11MAOBKDM1ASCN2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106450453-A | Lithium ion battery electrolyte and lithium ion battery containing same | 广州天赐高新材料股份有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-114181137-A | Para-aryl substituted pyridinium derivative electrochromic material and preparation method thereof | 黎伟麒 | 2022-03-15 | — | — | CN | disclosed |
| CN-106450453-A | Lithium ion battery electrolyte and lithium ion battery containing same | 广州天赐高新材料股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-2010516-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007118903-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-25 | — | — | WO | disclosed |