Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | RGS12 | O14924 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10554772 | 0.84 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11507691 | 0.84 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8761504 | 0.84 | EPHX1 (0.52) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11838329 | 0.79 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8365210 | 0.78 | ACP3 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6EPHX1 | |
| SCHEMBL7789582 | 0.78 | TRPA1 (0.61) | SLC6A2SLC6A4SLC6A3EPHX1ACP3 | |
| SCHEMBL262279 | 0.78 | CYP1A2 (0.53) | CYP2D6EPHX1ACP3PKMALOX15 | |
| SCHEMBL2835490 | 0.78 | CYP1A2 (0.53) | CYP2D6EPHX1ACP3PKMALOX15 | |
| SCHEMBL3195029 | 0.77 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10591198 | 0.77 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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-4359404-A | Hydrogenation of esters using alkali doped heterogeneous Group VIII transition metal catalysts | ALLIED CORPORATION (US) | 1982-11-16 | — | — | US | disclosed |
| US-4346240-A | Hydrogenation of esters using alkali doped heterogeneous group VIII transition metal catalysts | ALLIED CORPORATION (US) | 1982-08-24 | — | — | US | disclosed |
| US-4329529-A | Traction fluids for traction drive transmissions | NIPPON OIL CO., LTD. (JP) | 1982-05-11 | — | — | US | disclosed |
| EP-0036939-A1 | Hydrogenation of esters using alkali doped heterogeneous group VIII transition metal catalysts | ALLIED CORPORATION (US) | 1981-10-07 | — | — | EP | disclosed |