Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | SLC2A9 | Q9NRM0 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | IL15 | P40933 | 1/20 | 0.41 |
| ▸ | IL2 | P60568 | 1/20 | 0.41 |
| ▸ | IL15RA | Q13261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1719377 | 0.94 | SLC22A12 (0.45) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL12010033 | 0.89 | MAPT (0.47) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL250058 | 0.87 | ALDH1A1 (0.43) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL29376753 | 0.84 | SLC22A12 (0.65) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL248221 | 0.84 | SLC22A12 (0.65) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL14921536 | 0.83 | SLC22A12 (0.64) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Potassium SCHEMBL30892115 | 0.83 | SLC22A12 (0.64) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL246489 | 0.81 | CA1 (0.49) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL15556799 | 0.80 | SLC22A12 (0.72) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL248911 | 0.79 | MEN1 (0.48) | KMT2AMEN1TDP1GAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2402011-A1 | Intermediates in the synthesis of S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-01-04 | — | — | EP | disclosed |