Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | NPM1 | P06748 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 6/20 | 0.34 |
| ▸ | ATR | Q13535 | 6/20 | 0.34 |
| ▸ | ATRIP | Q8WXE1 | 6/20 | 0.34 |
| ▸ | ATM | Q13315 | 3/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.34 |
| ▸ | MTOR | P42345 | 3/20 | 0.34 |
| ▸ | SERPINA2 | P20848 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30359498 | 0.80 | SIGMAR1 (0.38) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL20374558 | 0.80 | SIGMAR1 (0.38) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL21541863 | 0.80 | SIGMAR1 (0.38) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL20374559 | 0.77 | PRKDC (0.37) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL21541858 | 0.77 | PRKDC (0.37) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL30359501 | 0.77 | PRKDC (0.37) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL796636 | 0.77 | PRKDC (0.50) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL797783 | 0.73 | NPM1 (0.42) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL796862 | 0.71 | PRKDC (0.55) | NPM1ALKPRKDCATRATRIP | |
| SCHEMBL3088100 | 0.68 | HTT (0.51) | HTTNCF1CHRNB2CHRNA4HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011112731-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-15 | — | — | WO | disclosed |