Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21879997 | 0.95 | TAAR1 (0.52) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| Hydrochloric Acid SCHEMBL5091679 | 0.92 | TAAR1 (0.50) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| Iodide SCHEMBL5087566 | 0.92 | TAAR1 (0.50) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| Bromide SCHEMBL5085121 | 0.92 | TAAR1 (0.50) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| SCHEMBL11843995 | 0.83 | SLC6A2 (0.55) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| Hydrochloric Acid SCHEMBL5085043 | 0.78 | TAAR1 (0.46) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| Iodide SCHEMBL5092958 | 0.78 | TAAR1 (0.46) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| Bromide SCHEMBL5091825 | 0.78 | TAAR1 (0.46) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| SCHEMBL29342 | 0.77 | TAAR1 (0.56) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 | |
| SCHEMBL15233939 | 0.77 | TAAR1 (0.50) | TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5100877-A | Chemotherapy, anticancer agents, improved water solubility, side effect reduction | KURARAY CO., LTD. (JP) | 1992-03-31 | — | — | US | disclosed |
| US-4948784-A | ANTICARCINOGENIC AND-TUMOR AGENTS; WATER-SOLUBEL MACROMOLICULAR COMPLEXES; SIDE EFFECT REDUCTION | KURARAY COMPANY, LTD. (JP) | 1990-08-14 | — | — | US | disclosed |
| EP-0307827-A2 | Novel macromolecular complexes, process for producing same and medicinal use of such complexes | KURARAY CO., LTD. (JP) | 1989-03-22 | — | — | EP | disclosed |
| EP-0270682-A1 | NOVEL COMPLEXES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL USE OF THEM | KURARAY CO., LTD. (JP) | 1988-06-15 | — | — | EP | disclosed |