Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28223075 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL7356339 | 0.82 | ALDH1A1 (0.66) | ALDH1A1KDM4ETDP1SMN1; SMN2MDM2 | |
| Hydrochloric Acid SCHEMBL1371732 | 0.81 | ALDH1A1 (0.64) | ALDH1A1KDM4ETDP1SMN1; SMN2MDM2 | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL10876592 | 0.81 | KDM4E (0.70) | ALDH1A1KDM4ETDP1MDM2TSHR | |
| Piperazine SCHEMBL28070940 | 0.78 | ALDH1A1 (0.70) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL28112388 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| Piperazine SCHEMBL28080084 | 0.77 | ALDH1A1 (0.68) | ALDH1A1KDM4ETDP1SMN1; SMN2TSHR | |
| SCHEMBL9232046 | 0.75 | CHRM5 (0.50) | ALDH1A1SMN1; SMN2CYP1A2HSD17B10 | |
| SCHEMBL337070 | 0.74 | HSD17B10 (0.52) | SMN1; SMN2HSD17B10 | |
| SCHEMBL62990 | 0.74 | HSD17B10 (0.52) | SMN1; SMN2HSD17B10 |
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-105814048-B | Fused tricyclic benzimidizole derivatives as TNF active regulators | UCB生物制药私人有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-105814048-A | Fused tricyclic imidazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |