Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 15/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.40 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | SLC2A9 | Q9NRM0 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001722 | 0.84 | TDP1 (0.49) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL3418015 | 0.74 | SLC22A12 (0.47) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL19867947 | 0.72 | SLC22A12 (0.41) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL5524129 | 0.71 | SLC22A12 (0.40) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL29362515 | 0.71 | SLC22A12 (0.40) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL17069753 | 0.71 | SLC22A12 (0.41) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL28883386 | 0.71 | TLR9 (0.47) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL23022609 | 0.69 | SLC22A12 (0.43) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL19301425 | 0.69 | SLC22A12 (0.47) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL15556488 | 0.69 | ALDH1A1 (0.41) | SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105017168-A | New preparation method of [5-bromo-4-(4-cyclopropyl-naphthalene-1-yl)-4H-[1, 2, 4]triazole-3-ylsulfanyl]-methyl acetate | ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD | 2015-11-04 | — | — | CN | disclosed |