Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28114146 | 0.88 | AR (0.40) | HTTMAPTNPC1RAB9ARAPGEF4 | |
| Tert-Butyl Formate SCHEMBL27996975 | 0.86 | NPC1 (0.42) | HTTMAPTNPC1RAB9AMEN1 | |
| Tert-Butyl Formate SCHEMBL28113627 | 0.82 | AR (0.46) | LMNATHRBTDP1 | |
| Tert-Butyl Formate SCHEMBL27996974 | 0.81 | TDP1 (0.46) | HTTTSHRSMN1; SMN2MAPTNPC1 | |
| SCHEMBL670295 | 0.80 | MEN1 (0.57) | HTTTSHRSMN1; SMN2MAPTNPC1 | |
| Tert-Butyl Formate SCHEMBL28836877 | 0.80 | TDP1 (0.36) | MAPTNPC1RAB9AKDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL25252460 | 0.79 | MEN1 (0.55) | HTTTSHRSMN1; SMN2MAPTNPC1 | |
| Hydrochloric Acid SCHEMBL1160446 | 0.79 | MEN1 (0.55) | HTTTSHRSMN1; SMN2MAPTNPC1 | |
| Tert-Butyl Formate SCHEMBL28114131 | 0.77 | TDP1 (0.38) | MAPTNPC1RAB9AKDM4ETDP1 | |
| Tert-Butyl Formate SCHEMBL27715080 | 0.73 | NPSR1 (0.40) | MEN1KMT2ANPSR1TDP1 |
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-104487433-B | Triazolone compounds as mPGES-1 inhibitors | 格兰马克药品股份有限公司 | 2016-12-07 | — | — | CN | disclosed |