Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.57 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31059033 | 0.82 | ABCG2 (0.68) | ABCB1TNFRSF1ACYP1A2CYP2D6CYP1A1 | |
| SCHEMBL14947390 | 0.81 | ABCB1 (1.00) | ABCB1MAPTNPC1LMNABCHE | |
| SCHEMBL527372 | 0.81 | ABCB1 (1.00) | ABCB1MAPTNPC1LMNABCHE | |
| SCHEMBL31059018 | 0.81 | ABCG2 (0.67) | ABCB1TNFRSF1ACYP1A2CYP2D6CYP1A1 | |
| SCHEMBL31059020 | 0.81 | ABCG2 (0.69) | ABCB1MAPTLMNATNFRSF1AABCG2 | |
| SCHEMBL31032724 | 0.80 | TUBB1 (0.62) | ABCB1MAPTLMNAKDM4E | |
| SCHEMBL31059031 | 0.79 | TUBB1 (0.80) | ABCB1TNFRSF1ACYP1A2CYP1A1CYP1B1 | |
| SCHEMBL31059013 | 0.78 | ABCG2 (0.61) | ABCB1TNFRSF1ACYP3A4ABCG2 | |
| SCHEMBL31059029 | 0.78 | TUBB1 (0.80) | ABCB1TNFRSF1AABCG2 | |
| SCHEMBL31059032 | 0.78 | CTSL (0.62) | ABCB1TNFRSF1ACYP1A2CYP2D6ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118388357-A | Heteroatom-containing chalcone derivative and preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2024-07-26 | — | — | CN | disclosed |