Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 6/20 | 0.39 |
| ▸ | HTR2B | P41595 | 6/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28217704 | 0.91 | KDM1A (0.48) | MAP1LC3BKDM1ABRD4HTR2CHTR2B | |
| Formic Acid SCHEMBL27536018 | 0.80 | MAP1LC3B (0.43) | MAP1LC3BKDM1ABRD4HTR2CHTR2B | |
| SCHEMBL28217656 | 0.74 | MAP1LC3B (0.41) | MAP1LC3BKDM1ABRD4HTR2CHTR2B | |
| SCHEMBL26834590 | 0.73 | KDM1A (0.41) | KDM1AHTR2CHTR2BHTR2ASLC6A2 | |
| SCHEMBL22052752 | 0.73 | KDM1A (0.41) | KDM1AHTR2CHTR2BHTR2ASLC6A2 | |
| SCHEMBL17892133 | 0.71 | KDM1A (0.59) | MAP1LC3BKDM1ABRD4HTR2CHTR2B | |
| Formic Acid SCHEMBL27583413 | 0.71 | HSD11B1 (0.44) | NPC1ALDH1A1LMNAMAPK1HTT | |
| SCHEMBL30118017 | 0.70 | MAP1LC3B (0.41) | MAP1LC3BKDM1ABRD4HTR2CHTR2B | |
| SCHEMBL31389967 | 0.70 | CHRNB4 (0.43) | HTR2C | |
| SCHEMBL10046437 | 0.69 | KDM1A (0.50) | MAP1LC3BKDM1ABRD4HTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890826-A | A kind of efficient IDO/TDO double inhibitors containing azacyclo- helical structure | 中国科学院上海有机化学研究所 | 2019-06-14 | — | — | CN | disclosed |
| CN-108017643-A | A kind of efficient IDO/TDO double inhibitors containing azacyclo- helical structure | 中国科学院上海有机化学研究所 | 2018-05-11 | — | — | CN | disclosed |