Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 5/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | STK17B | O94768 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4735618 | 0.92 | — | — | |
| SCHEMBL18417129 | 0.85 | AHR (0.54) | CYP3A4AHRTRPA1TYRCA12 | |
| SCHEMBL12084353 | 0.81 | AHR (0.44) | AHRTRPA1 | |
| SCHEMBL10448868 | 0.79 | AHR (0.74) | CYP3A4AHRTRPA1MEN1KMT2A | |
| SCHEMBL10448864 | 0.79 | AHR (0.74) | CYP3A4AHRTRPA1MEN1KMT2A | |
| SCHEMBL18622819 | 0.79 | CYP1A2 (0.54) | CYP3A4AHRTRPA1MAOBMEN1 | |
| SCHEMBL123425 | 0.78 | AHR (0.43) | CYP3A4AHRTRPA1TYRCA12 | |
| SCHEMBL3068235 | 0.78 | AHR (0.43) | CYP3A4AHRTRPA1TYRCA12 | |
| SCHEMBL7187760 | 0.76 | CYP3A4 (0.45) | CYP3A4TYRCA12CA9MAOB | |
| SCHEMBL14259795 | 0.74 | MAOA (0.49) | TYRMAOBSTK17BMEN1MAOA |
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-2007098263-A2 | SYNTHESIS OF A HIGHLY CRYSTALLINE, COVALENTLY LINKED POROUS NETWORK | UNIVERSITY OF SOUTH CAROLINA (US) | 2007-08-30 | — | — | WO | disclosed |