Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 4/20 | 0.37 |
| ▸ | CES1 | P23141 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1022860 | 0.82 | CES2 (0.46) | ALDH1A1ALOX15CES2CES1LMNA | |
| SCHEMBL671154 | 0.81 | CES2 (0.38) | CES2CES1LMNASMN1; SMN2PLAU | |
| SCHEMBL29975604 | 0.81 | CES2 (0.38) | CES2CES1LMNASMN1; SMN2PLAU | |
| SCHEMBL16936918 | 0.80 | ALDH1A1 (0.33) | ALDH1A1ALOX15KDM1AKCNH2KDM1B | |
| SCHEMBL16555805 | 0.79 | DGAT1 (0.41) | CES2CES1NPC1RAB9AKDM1A | |
| SCHEMBL30632655 | 0.79 | DGAT1 (0.41) | CES2CES1NPC1RAB9AKDM1A | |
| SCHEMBL10325437 | 0.79 | CES2 (0.37) | CES2CES1LMNAHPGDPLAU | |
| SCHEMBL1197627 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ALOX15CES2CES1HPGD | |
| SCHEMBL18797709 | 0.78 | ALDH1A1 (0.39) | ALDH1A1ALOX15CES2CES1NPC1 | |
| SCHEMBL15809161 | 0.75 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071457-A | Inhibitors of indoleamine 2, 3-dioxygenase | 荷兰转化研究中心有限责任公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108473481-A | compounds useful as kinase inhibitors | 洛克索肿瘤学股份有限公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-105683164-A | Fungicidal pyrazoles | 杜邦公司 | 2016-06-15 | — | — | CN | disclosed |