Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL88858 | 0.98 | CA12 (0.45) | CA12CA1CA2CA9GPR3 | |
| SCHEMBL29398807 | 0.98 | CA12 (0.45) | CA12CA1CA2CA9GPR3 | |
| Hydrochloric Acid SCHEMBL9756819 | 0.95 | CA12 (0.44) | CA12CA1CA2CA9GPR3 | |
| Isobutane SCHEMBL9756824 | 0.90 | CA12 (0.40) | CA12CA1CA2CA9GPR3 | |
| Acetic Acid SCHEMBL6200962 | 0.86 | CA12 (0.38) | CA12CA1CA2CA9MEN1 | |
| Oxazole SCHEMBL4863479 | 0.79 | CA12 (0.33) | CA12CA1CA2CA9 | |
| Hydrochlorthiazide SCHEMBL6036314 | 0.79 | CA12 (0.33) | CA12CA1CA2CA9 | |
| SCHEMBL29429784 | 0.78 | CA12 (0.42) | CA12CA1CA2CA9GPR3 | |
| SCHEMBL11256812 | 0.75 | CA12 (0.35) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL5613160 | 0.72 | CA12 (0.40) | CA12CA1CA2CA9GPR3 |
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-107873031-A | Benzoxazinone derivatives and analogs thereof as modulators of TNF activity | UCB生物制药私人有限公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-107635990-A | Derivative, pharmaceutical composition and the application method of new 3 indoles substitution | 辉瑞公司 | 2018-01-26 | — | — | CN | disclosed |