Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | TACR3 | P29371 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.49 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28844498 | 0.87 | TACR3 (0.75) | DHODHCYP3A4MEN1KMT2ATACR3 | |
| SCHEMBL28307588 | 0.86 | TACR3 (0.61) | DHODHMEN1KMT2ATACR3MAPT | |
| SCHEMBL28844496 | 0.85 | TACR3 (0.61) | DHODHCYP3A4MEN1KMT2ATACR3 | |
| SCHEMBL13190172 | 0.77 | DGAT1 (0.78) | DHODHCYP3A4MEN1KMT2AMAPT | |
| SCHEMBL8619883 | 0.77 | DHODH (0.58) | DHODHCYP3A4MEN1KMT2ATACR3 | |
| SCHEMBL8617821 | 0.76 | DHODH (0.56) | DHODHCYP3A4MEN1KMT2ATACR3 | |
| SCHEMBL10373705 | 0.75 | DHODH (1.00) | DHODHKMT2AKDM4EPOLB | |
| SCHEMBL14970875 | 0.74 | CYP3A4 (1.00) | CYP3A4MEN1KMT2ATACR3CA12 | |
| SCHEMBL9788835 | 0.74 | DHODH (0.97) | DHODHKMT2AKDM4EPOLB | |
| SCHEMBL28953312 | 0.73 | TACR3 (0.76) | DHODHCYP3A4MEN1KMT2ATACR3 |
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-110105279-B | Quinoline STAT3 specific inhibitor and preparation method and application thereof | 中山大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-110105279-A | A kind of quinolines STAT3 specific inhibitor and its preparation method and application | 中山大学 | 2019-08-09 | — | — | CN | disclosed |