Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | ACHE | P22303 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28183150 | 0.97 | TSHR (0.65) | TSHRACHELMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL7459103 | 0.97 | TSHR (0.65) | TSHRACHELMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL27260968 | 0.82 | ACHE (0.69) | TSHRACHELMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL355333 | 0.82 | TSHR (0.69) | TSHRACHELMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL17498723 | 0.82 | TSHR (0.69) | TSHRACHELMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL6372716 | 0.82 | TSHR (0.69) | TSHRACHELMNAALOX12ALDH1A1 | |
| Thiocyanic Acid SCHEMBL32679422 | 0.82 | RAB9A (0.52) | TSHRACHELMNAALOX12ALDH1A1 | |
| P-Xylene SCHEMBL10339755 | 0.82 | ALDH1A1 (0.58) | TSHRACHELMNAALOX12ALDH1A1 | |
| P-Xylene SCHEMBL10339754 | 0.82 | ALDH1A1 (0.58) | TSHRACHELMNAALOX12ALDH1A1 | |
| Toluene SCHEMBL9481660 | 0.82 | ACHE (0.92) | TSHRACHELMNAALOX12ALDH1A1 |
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-2007108710-A1 | A METHOD OF MANUFACTURING A TEST FOR THE DETECTION OF NARCOTICS, PARTICULARLY GAMMA- HYDROXYBUTIRIC ACID (GHB), AND A METHOD OF DETECTING THEIR PRESENCE | POCH S.A. (PL) | 2007-09-27 | — | — | WO | disclosed |