Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ORAI1 | Q96D31 | 4/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 4/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 4/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL4779666 | 0.98 | LMNA (0.52) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL735933 | 0.93 | ACHE (0.58) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL1308696 | 0.87 | LMNA (0.46) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL1718753 | 0.84 | LMNA (0.52) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL27542416 | 0.78 | LMNA (0.58) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL9640890 | 0.78 | LMNA (0.58) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL9640920 | 0.78 | LMNA (0.58) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL190031 | 0.78 | LMNA (0.58) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL3710402 | 0.78 | LMNA (0.37) | LMNAACHETSHRALOX12ORAI1 | |
| Toluene SCHEMBL352057 | 0.77 | — | — |
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-2008071765-A1 | PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |