Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
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 SCHEMBL6990243 | 0.99 | PARP1 (0.41) | PARP1PTGS2GHSRCA1CA2 | |
| SCHEMBL6999572 | 0.91 | CA1 (0.46) | PARP1CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL6993188 | 0.90 | CA1 (0.48) | PARP1CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL6999676 | 0.84 | PARP1 (0.43) | PARP1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7000763 | 0.84 | PARP1 (0.43) | PARP1CA1CA2CA12CA9 | |
| SCHEMBL6994032 | 0.83 | LMNA (0.42) | PARP1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL6993345 | 0.83 | PARP1 (0.42) | PARP1KMT2ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7713373 | 0.83 | PARP1 (0.53) | PARP1CA1CA2KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6310054 | 0.83 | PARP1 (0.42) | PARP1KMT2A | |
| SCHEMBL6995764 | 0.83 | CHRM2 (0.41) | PARP1CA1CA2CA12KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | claimed |