Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.59 |
| ▸ | WDR5 | P61964 | 2/20 | 0.58 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.56 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10219496 | 0.82 | NPC1 (0.63) | AKR1C2AKR1C1MEN1MAPTKMT2A | |
| SCHEMBL28566263 | 0.81 | WDR5 (0.60) | TSHRAKR1C2AKR1C1WDR5MEN1 | |
| SCHEMBL6709802 | 0.80 | TSHR (0.67) | TSHRCYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL7721973 | 0.80 | ALDH1A1 (0.70) | TSHRCYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL4094329 | 0.80 | KMT2A (0.66) | TSHRMEN1MAPTKMT2AKDM4E | |
| SCHEMBL29564693 | 0.79 | VCAM1 (0.62) | WDR5ITGB1ITGA5MEN1POLB | |
| SCHEMBL31493 | 0.79 | VCAM1 (0.62) | WDR5ITGB1ITGA5MEN1POLB | |
| SCHEMBL28554330 | 0.79 | MEN1 (0.69) | TSHRWDR5MEN1POLBMAPT | |
| SCHEMBL6403580 | 0.79 | ALDH1A1 (0.53) | TSHRCYP1A2CYP2C19AKR1C2AKR1C1 | |
| SCHEMBL7721009 | 0.79 | ALDH1A1 (0.69) | TSHRMEN1POLBMAPTKMT2A |
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-112638909-A | Compounds with antibacterial activity | 香港理工大学 | 2021-04-09 | — | — | CN | disclosed |