Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27811778 | 0.98 | TAAR1 (0.46) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| Phosphine SCHEMBL11016680 | 0.82 | SLC6A2 (0.48) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| SCHEMBL15901702 | 0.76 | TAAR1 (0.44) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| SCHEMBL21879997 | 0.75 | TAAR1 (0.52) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| SCHEMBL9746335 | 0.75 | TAAR1 (0.52) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| SCHEMBL3879564 | 0.75 | TAAR1 (0.58) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| SCHEMBL324079 | 0.74 | SLC6A2 (0.50) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| Hydrochloric Acid SCHEMBL5091679 | 0.73 | TAAR1 (0.50) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| Bromide SCHEMBL5085121 | 0.73 | TAAR1 (0.50) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A | |
| SCHEMBL29342 | 0.73 | TAAR1 (0.56) | TAAR1SLC6A2LOXL2SMN1; SMN2HIF1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206262-A4 | NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-1206262-A1 | NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001013917-A1 | NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-03-01 | — | — | WO | disclosed |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |