Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.71 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.70 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.65 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | DPP4 | P27487 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL21643397 | 1.00 | ABCG2 (0.71) | ABCG2NR1H4CHRNA7CYP1A1CYP1A2 | |
| SCHEMBL21643325 | 0.91 | NR1H4 (0.62) | ABCG2NR1H4CHRNA7CYP1A1CYP1A2 | |
| SCHEMBL29730952 | 0.91 | NR1H4 (0.62) | ABCG2NR1H4CHRNA7CYP1A1CYP1A2 | |
| SCHEMBL29803485 | 0.89 | NR1H4 (0.66) | ABCG2NR1H4CHRNA7CYP1A1CYP1A2 | |
| SCHEMBL21643422 | 0.89 | NR1H4 (0.66) | ABCG2NR1H4CHRNA7CYP1A1CYP1A2 | |
| SCHEMBL7097693 | 0.86 | ABCG2 (0.69) | ABCG2NR1H4CHRNA7CYP1A1CYP1A2 | |
| SCHEMBL21643256 | 0.86 | ABCG2 (0.70) | ABCG2NR1H4CYP1A2CYP3A4DPP4 | |
| SCHEMBL29803039 | 0.86 | ABCG2 (0.70) | ABCG2NR1H4CYP1A2CYP3A4DPP4 | |
| SCHEMBL1764954 | 0.85 | ABCG2 (0.86) | ABCG2CHRNA7CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL28796418 | 0.85 | ABCG2 (0.86) | ABCG2CHRNA7CYP1A1CYP1A2CYP2D6 |
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-114746103-A | Rapafucin derivative compounds and methods of use thereof | 约翰霍普金斯大学 | 2022-07-12 | — | — | CN | disclosed |