Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.38 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | CHUK | O15111 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
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 SCHEMBL28129911 | 0.80 | SCN9A (0.46) | CTSSSCN9ACHEK1IRAK4MAP2K1 | |
| Tert-Butyl Formate SCHEMBL27772368 | 0.78 | SCN9A (0.44) | HTR2ACTSSSCN9ACHEK1IRAK4 | |
| Tert-Butyl Formate SCHEMBL27772367 | 0.78 | SCN9A (0.44) | HTR2ACTSSSCN9ACHEK1IRAK4 | |
| SCHEMBL2170111 | 0.76 | IRAK4 (0.53) | HTR2ASCN9ACHEK1IRAK4SCN8A | |
| Tert-Butyl Formate SCHEMBL28095479 | 0.76 | PKM (0.42) | SCN9AIRAK4MAP2K1SSTR4IKBKB | |
| Tert-Butyl Formate SCHEMBL27833493 | 0.76 | PKM (0.42) | SCN9AIRAK4MAP2K1SSTR4IKBKB | |
| Tert-Butyl Formate SCHEMBL28778060 | 0.75 | CHRNB2 (0.41) | SCN9AIRAK4MAP2K1IKBKBCHUK | |
| Tert-Butyl Formate SCHEMBL28778058 | 0.75 | CHRNB2 (0.41) | SCN9AIRAK4MAP2K1IKBKBCHUK | |
| SCHEMBL12643404 | 0.75 | KDM1A (0.46) | SCN9AIRAK4MAP2K1IKBKBCHUK | |
| Tert-Butyl Formate SCHEMBL28946376 | 0.75 | MAP2K1 (0.46) | SCN9AMAP2K1 |
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-101115727-A | Compounds for inhibition of CHK1 | ICOS CORP (US) | 2008-01-30 | — | — | CN | disclosed |