Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL10347735 | 0.84 | ALDH1A1 (0.49) | IDO1TDO2IDO2SLC6A4SLC6A2 | |
| SCHEMBL254524 | 0.84 | AHR (0.50) | IDO1TDO2IDO2SLC6A4SLC6A2 | |
| SCHEMBL12204112 | 0.75 | IDO1 (0.53) | IDO1TDO2IDO2SLC6A4SLC6A2 | |
| SCHEMBL13524616 | 0.72 | AHR (0.54) | CYP3A4ALDH1A1HTTSMN1; SMN2CYP1A2 | |
| SCHEMBL13524519 | 0.72 | CYP2A6 (0.48) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL14670465 | 0.71 | AHR (0.67) | SLC6A4SLC6A2SLC6A3CYP1A2CYP2C9 | |
| SCHEMBL4780127 | 0.71 | AHR (0.46) | IDO1TDO2IDO2SLC6A4SLC6A2 | |
| Isopropylbenzene SCHEMBL7041369 | 0.70 | TAAR1 (0.48) | CYP2D6LMNAHTTCYP2C9 | |
| Benzene SCHEMBL5833599 | 0.69 | TYR (0.52) | IDO1CYP2D6ALDH1A1LMNAHTT | |
| SCHEMBL5311100 | 0.69 | IDO1 (0.51) | IDO1TDO2IDO2SLC6A4SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | claimed |
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |