Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | BCL6 | P41182 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016446 | 0.87 | PRKAB2 (0.52) | TP53THRBAOC3PRKAB2PRKAG1 | |
| SCHEMBL6016521 | 0.86 | ALDH1A1 (0.39) | TP53ALDH1A1BCL6USP2TSHR | |
| SCHEMBL6016375 | 0.86 | CNR2 (0.46) | AOC3PIK3CACNR2ALDH1A1TSHR | |
| Morpholine SCHEMBL6016412 | 0.82 | PRKAB2 (0.49) | TP53THRBAOC3PRKAB2PRKAG1 | |
| SCHEMBL6016527 | 0.78 | HTT (0.46) | AOC3PIK3CACNR2ALDH1A1KMT2A | |
| SCHEMBL6016658 | 0.78 | PTPN11 (0.45) | AOC3ABL1BCRCNR2ALDH1A1 | |
| SCHEMBL6016700 | 0.76 | ALDH1A1 (0.39) | TP53ABL1ALDH1A1USP2TSHR | |
| SCHEMBL4124843 | 0.76 | PIK3CA (0.49) | AOC3PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL6016520 | 0.75 | ALDH1A1 (0.44) | TP53PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL6016413 | 0.75 | TACR1 (0.43) | ALDH1A1KMT2ABCL6USP2TSHR |
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-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |