Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588776 | 0.82 | ALOX15 (0.53) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL22657885 | 0.80 | FAAH (0.45) | NPC1CYP1A2RAB9ASMN1; SMN2CYP2C9 | |
| SCHEMBL11630777 | 0.80 | ALOX15 (0.51) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL4014702 | 0.80 | ALOX15 (0.51) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL25084169 | 0.80 | ALOX15 (0.55) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL24649587 | 0.79 | CYP3A4 (0.54) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL9589157 | 0.78 | ALOX15 (0.50) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL11888425 | 0.77 | TAAR1 (0.53) | ALOX15ALOX12TSHRCYP1A2KIF11 | |
| SCHEMBL9589462 | 0.77 | ALOX15 (0.65) | ALOX15ALOX12TSHRNPC1CYP1A2 | |
| SCHEMBL7153474 | 0.77 | ALOX15 (0.49) | ALOX15ALOX12TSHRNPC1CYP1A2 |
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-108383765-A | The synthesis of Chlorambucil-dopamine conjugate and the preparation of prodrug nano-particle | 上海交通大学 | 2018-08-10 | — | — | CN | disclosed |