Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8825675 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| SCHEMBL1073587 | 0.77 | CES1 (0.46) | ALDH1A1TSHRKMT2AL3MBTL1MEN1 | |
| SCHEMBL8280913 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| SCHEMBL2401022 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| SCHEMBL23095737 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| SCHEMBL276932 | 0.74 | CA2 (0.62) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| Terephthalic Acid SCHEMBL8211964 | 0.74 | TSHR (0.67) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| Terephthalic Acid SCHEMBL28022775 | 0.74 | TSHR (0.67) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| SCHEMBL12802353 | 0.74 | CTBP2 (0.40) | ALDH1A1KMT2AL3MBTL1MEN1GAA | |
| SCHEMBL714706 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TP53TSHRSRD5A2KMT2A |
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-2010077470-A2 | ENZYME CATALYSTS FOR DIELS-ALDER REACTIONS | UNIVERSITY OF WASHINGTON (US) | 2010-07-08 | — | — | WO | disclosed |