Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30459987 | 1.00 | CA1 (0.38) | CA1CA2ALDH1A1MAPTEGFR | |
| SCHEMBL27649386 | 0.73 | CA1 (0.39) | CA1CA2ALDH1A1MAPTMEN1 | |
| SCHEMBL17185656 | 0.72 | CA1 (0.44) | CA1CA2ALDH1A1MAPTHTT | |
| SCHEMBL11669656 | 0.72 | MAPK1 (0.50) | ALDH1A1MAPTHTTMEN1POLB | |
| SCHEMBL11669664 | 0.72 | MAPK1 (0.50) | ALDH1A1MAPTHTTMEN1POLB | |
| SCHEMBL29619668 | 0.70 | EGFR (0.40) | ALDH1A1MAPTEGFRGAAGPR35 | |
| SCHEMBL255284 | 0.70 | EGFR (0.40) | ALDH1A1MAPTEGFRGAAGPR35 | |
| SCHEMBL28295995 | 0.69 | ALDH1A1 (0.41) | CA1CA2ALDH1A1MAPTGAA | |
| SCHEMBL30344329 | 0.69 | — | — | |
| SCHEMBL30344260 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111606825-B | 1, 1-dicyanohydrazone compound and application thereof | 沈阳化工大学 | 2023-12-29 | — | — | CN | disclosed |
| EP-1776119-A1 | TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006015870-A1 | TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2006-02-16 | — | — | WO | disclosed |