Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9290859 | 0.90 | XDH (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9290857 | 0.90 | KDM4C (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28744369 | 0.89 | MEN1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8944063 | 0.83 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8943675 | 0.83 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5014888 | 0.80 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8943694 | 0.78 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8944319 | 0.77 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL114319 | 0.77 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL29089898 | 0.75 | CA1 (0.58) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6353112-B1 | 3-PHENYL-2,3-DIHYDROBENZO(D)ISOTHAIZOLES 1,1-DIOXIDES; DEPROTONATING THE NITROGEN AND LITHIATING THE ORTHO-POSITION OF AN ARYL SULFONAMIDE IN A RESIN-BOUND SECONDARY SULFONAMIDE; ALKYLATING WITH A KETONE OR ALDEHYDE; CYCLIZATION | THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION | 2002-03-05 | — | — | US | disclosed |