Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 5/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | DHODH | Q02127 | 1/20 | 0.56 |
| ▸ | RUVBL1 | Q9Y265 | 1/20 | 0.54 |
| ▸ | KLK7 | P49862 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28844496 | 0.91 | TACR3 (0.61) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28307589 | 0.87 | DHODH (0.60) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28953312 | 0.87 | TACR3 (0.76) | TACR3CYP3A4MEN1KMT2ADHODH | |
| SCHEMBL28844487 | 0.86 | TACR3 (0.91) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL6451537 | 0.86 | TACR3 (1.00) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28844493 | 0.84 | TACR3 (0.86) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28844483 | 0.84 | TACR3 (0.86) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28844489 | 0.84 | TACR3 (0.86) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28844490 | 0.82 | TACR3 (0.82) | TACR3CYP3A4CA12CA1CA2 | |
| SCHEMBL28844481 | 0.82 | TACR3 (0.82) | TACR3CYP3A4CA12CA1CA2 |
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-110105279-B | Quinoline STAT3 specific inhibitor and preparation method and application thereof | 中山大学 | 2022-09-16 | — | — | CN | disclosed |