Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29689187 | 0.92 | IDO1 (0.45) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL1429267 | 0.92 | IDO1 (0.45) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL630768 | 0.79 | CA1 (0.58) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL632596 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL12074163 | 0.78 | ALOX5AP (0.39) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| Hydrochloric Acid SCHEMBL15488393 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL1766161 | 0.76 | IDO1 (0.45) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL1429875 | 0.76 | IDO1 (0.48) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL28149068 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1ADRA2BPTGS1MAPT | |
| SCHEMBL210128 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1ADRA2BPTGS1MAPT |
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-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |