Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | DNTT | P04053 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7700637 | 0.87 | TSHR (0.40) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL30597491 | 0.75 | MEN1 (0.49) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL1244477 | 0.74 | MEN1 (0.47) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL21673038 | 0.74 | MEN1 (0.47) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL7666958 | 0.74 | MEN1 (0.47) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL5683303 | 0.74 | MEN1 (0.47) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL20969489 | 0.68 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL20969493 | 0.68 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL20969207 | 0.66 | MEN1 (0.40) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 | |
| SCHEMBL3281202 | 0.65 | CHRM2 (0.40) | ALDH1A1TSHRCYP1A2MAPK1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962487-A | PICORNAVIRAL 3C PROTEASE INHIBITORS | AGOURON PHARMACEUTICALS, INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0911315-A1 | Beta-ketoester | Givaudan Roure (International) S.A. (CH) | 1999-04-28 | — | — | EP | disclosed |