Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21801745 | 0.84 | CA1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29525223 | 0.82 | NNMT (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3816388 | 0.82 | NNMT (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27775336 | 0.73 | KDM4E (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27681568 | 0.73 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL31026422 | 0.72 | NNMT (0.44) | MEN1ALDH1A1KMT2AKDM4ECYP2A6 | |
| SCHEMBL31387076 | 0.72 | KDM4E (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21363973 | 0.72 | HAO1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17585449 | 0.72 | KDM4E (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27794865 | 0.72 | LTA4H (0.57) | HAO1MEN1ALDH1A1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020055192-A2 | PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR | 재단법인 대구경북첨단의료산업진흥재단 | 2020-03-19 | — | — | WO | disclosed |