Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 10/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 9/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 9/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29092856 | 0.83 | HSD17B10 (0.33) | HSD17B10CYP1A2CYP3A4TP53CISD2 | |
| SCHEMBL9608357 | 0.81 | TAS1R3 (0.41) | HSD17B10CYP1A2CYP3A4ALDH1A1TAS1R3 | |
| SCHEMBL15180430 | 0.79 | CES2 (0.34) | HSD17B10CYP3A4TP53KDM4EALDH1A1 | |
| SCHEMBL4849062 | 0.77 | ALDH1A1 (0.33) | HSD17B10CYP3A4TP53KDM4EALDH1A1 | |
| SCHEMBL18674532 | 0.77 | TAS1R3 (0.41) | HSD17B10CYP1A2CYP3A4TAS1R3TAS1R1 | |
| SCHEMBL8374315 | 0.76 | KMT2A (0.37) | CYP1A2KDM4EALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL9633943 | 0.74 | CYP3A4 (0.39) | HSD17B10CYP1A2CYP3A4HPGDTHRB | |
| SCHEMBL6727338 | 0.74 | TAS1R3 (0.47) | HSD17B10CYP1A2CYP3A4THRBTAS1R3 | |
| SCHEMBL6668834 | 0.71 | KMT2A (0.41) | CYP1A2KDM4ETAS1R3TAS1R1TAS1R2 | |
| SCHEMBL7869943 | 0.71 | CES2 (0.33) | — |
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-106827642-B | A kind of software flocculant extrusion formation equipment and its forming method in sewage disposal | 徐州腾睿智能装备有限公司 | 2018-09-18 | — | — | CN | disclosed |