Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20172003 | 0.91 | NPC1 (0.53) | NPC1RAB9ASYKKCNH2SCN5A | |
| SCHEMBL20171963 | 0.84 | SYK (0.49) | NPC1RAB9ASYKKCNH2SCN5A | |
| SCHEMBL20171967 | 0.84 | SYK (0.51) | SYKFLT3AURKAMAPK9MAPK10 | |
| SCHEMBL20129533 | 0.81 | FLT3 (0.59) | SYKFLT3AURKAMAPK9MAPK10 | |
| SCHEMBL15584301 | 0.77 | SYK (0.51) | NPC1RAB9ASYKFLT3AURKA | |
| SCHEMBL20172050 | 0.77 | SYK (0.51) | NPC1RAB9ASYKFLT3AURKA | |
| SCHEMBL20172044 | 0.76 | FLT3 (0.54) | NPC1RAB9ASYKFLT3AURKA | |
| SCHEMBL16450162 | 0.75 | SYK (0.58) | NPC1RAB9ASYKFLT3AURKA | |
| SCHEMBL19676120 | 0.75 | FLT3 (0.49) | NPC1RAB9ASYKFLT3AURKA | |
| SCHEMBL20171970 | 0.74 | MERTK (0.51) | SYKFLT3AURKAMAPK9MAPK10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323811-A1 | PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM Corporation (JP) | 2018-05-23 | — | — | EP | disclosed |