Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3377935 | 0.80 | TAAR1 (0.58) | TAAR1AOC3TDP1MEN1NPC1 | |
| SCHEMBL10835329 | 0.80 | TAAR1 (0.58) | TAAR1AOC3TDP1MEN1NPC1 | |
| SCHEMBL3381169 | 0.80 | TAAR1 (0.58) | TAAR1AOC3TDP1MEN1NPC1 | |
| SCHEMBL9768667 | 0.78 | TAAR1 (0.56) | TAAR1AOC3TDP1MEN1NPC1 | |
| SCHEMBL10688523 | 0.76 | TAAR1 (0.67) | TAAR1AOC3TDP1MEN1NPC1 | |
| SCHEMBL10665117 | 0.75 | ALDH1A1 (0.50) | AOC3TDP1NPC1RAB9AALDH1A1 | |
| SCHEMBL4275613 | 0.74 | TAAR1 (0.52) | TAAR1AOC3TDP1ALDH1A1HPGD | |
| SCHEMBL1344100 | 0.74 | OPRK1 (0.65) | TAAR1AOC3TDP1ALDH1A1HPGD | |
| SCHEMBL12049808 | 0.72 | OPRK1 (0.63) | TAAR1AOC3TDP1OPRK1CHRM2 | |
| SCHEMBL9618237 | 0.71 | KCNH2 (0.57) | AOC3SIGMAR1CHRM2HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |