Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195189 | 0.83 | TAAR1 (0.59) | TAAR1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL3616587 | 0.79 | TAAR1 (0.68) | TAAR1 | |
| SCHEMBL3616582 | 0.79 | TAAR1 (0.68) | TAAR1 | |
| SCHEMBL3619604 | 0.79 | TAAR1 (0.68) | TAAR1 | |
| SCHEMBL8207545 | 0.73 | SLC6A4 (0.41) | TAAR1MAPT | |
| SCHEMBL8210582 | 0.73 | TAAR1 (0.60) | TAAR1 | |
| SCHEMBL28262128 | 0.70 | CYP1A2 (0.44) | TAAR1CYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL19555052 | 0.69 | CYP1A2 (0.40) | TAAR1CYP1A2CYP2A6CYP2D6NFKB1 | |
| SCHEMBL14498435 | 0.69 | MAPT (0.41) | TAAR1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL27838363 | 0.69 | MAPT (0.67) | TAAR1NPC1POLBRAB9ASMN1; SMN2 |
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-2008092785-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-07 | — | — | WO | disclosed |