Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL4437996 | 0.84 | MAPT (0.53) | MAPTPOLBSMN1; SMN2HTR6ALDH1A1 | |
| Pivalate SCHEMBL27791210 | 0.83 | MAPT (0.45) | MAPTPOLBKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL14216407 | 0.79 | MAPT (0.56) | MAPTPOLBSMN1; SMN2HTR6ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27770095 | 0.75 | MAPT (0.43) | MAPTPOLBKMT2ASMN1; SMN2HTR6 | |
| SCHEMBL3952822 | 0.73 | KMT2A (0.48) | MAPTPOLBKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL13736235 | 0.73 | KMT2A (0.48) | MAPTPOLBKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL27629620 | 0.73 | ADRB1 (0.67) | HTR6ADRB1 | |
| Biphenyl SCHEMBL27395942 | 0.72 | HTR6 (0.48) | HTR6ALDH1A1PIM1PIM3 | |
| SCHEMBL9425659 | 0.72 | MAPT (0.67) | MAPTKDM4EPOLBKMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL4628540 | 0.71 | KMT2A (0.55) | MAPTKMT2ASMN1; SMN2MEN1HTR6 |
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-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |