Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL1289937 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| Cyclooctane SCHEMBL16909938 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL11529127 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL598534 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL48006 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL23491537 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL1289945 | 0.97 | ACHE (0.79) | ACHELMNATSHRALOX12TDP1 | |
| P-Xylene SCHEMBL11504018 | 0.89 | ACHE (0.92) | ACHELMNATSHRALOX12TDP1 | |
| P-Xylene SCHEMBL887790 | 0.89 | ACHE (0.92) | ACHELMNATSHRALOX12TDP1 | |
| P-Xylene SCHEMBL9126485 | 0.89 | ACHE (0.92) | ACHELMNATSHRALOX12TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985363-A | PSEUDOMONAS | RESEARCH DEVELOPMENT CORPORATION (JP) | 1991-01-15 | — | — | US | disclosed |
| US-4981800-A | SOLVENT RESISTANCE | RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) | 1991-01-01 | — | — | US | disclosed |