Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13943613 | 0.82 | ADORA3 (0.46) | CYP1A2HPGDCYP2C9MAPTALDH1A1 | |
| SCHEMBL20565588 | 0.75 | KDM4E (0.46) | CYP1A2HPGDCYP2C9MAPTALDH1A1 | |
| SCHEMBL16046368 | 0.71 | CYP2A6 (0.42) | CYP1A2HPGDMAPTALDH1A1MEN1 | |
| SCHEMBL9217948 | 0.68 | ALDH1A1 (0.62) | CYP1A2HPGDMAPTALDH1A1MEN1 | |
| SCHEMBL29378092 | 0.67 | HPGD (0.61) | CYP1A2HPGDCYP2C9MAPTALDH1A1 | |
| SCHEMBL248974 | 0.67 | HPGD (0.61) | CYP1A2HPGDCYP2C9MAPTALDH1A1 | |
| SCHEMBL19846952 | 0.66 | HTT (0.56) | CYP1A2HPGDMAPTALDH1A1MEN1 | |
| SCHEMBL20659375 | 0.66 | DAO (0.54) | CYP1A2HPGDMAPTALDH1A1MEN1 | |
| SCHEMBL20427595 | 0.65 | ALDH1A1 (0.40) | CYP1A2HPGDMAPTALDH1A1MEN1 | |
| SCHEMBL14519076 | 0.64 | GSK3B (0.53) | CYP1A2HPGDMAPTALDH1A1MEN1 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |