Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4410718 | 0.98 | TACR1 (0.53) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL14401030 | 0.81 | TACR1 (0.54) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL13354771 | 0.81 | TACR1 (0.54) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL13267636 | 0.81 | TACR1 (0.58) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL2997911 | 0.81 | TACR1 (0.58) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL2997913 | 0.81 | TACR1 (0.58) | TACR1CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL16993593 | 0.80 | TACR1 (0.53) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL17688799 | 0.79 | TACR1 (0.51) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL2989933 | 0.79 | TACR1 (0.51) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL22013212 | 0.78 | TACR1 (0.63) | TACR1CA1CA2CA7CA9 |
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-1079745-A | New 9-fluoro-7-oxo-7H-pyrido [1,2,3-d, e] [1,4] benzoxazine-6-carboxylic acids and ester thereof | BAYER AG (DE) | 1993-12-22 | — | — | CN | disclosed |
| EP-0563734-A1 | 9-fluoro-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine carboxylic acids and esters and their use as antiviral agents | BAYER AG (DE) | 1993-10-06 | — | — | EP | disclosed |