Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29746849 | 1.00 | SLC1A3 (0.53) | SLC1A3CYP1A2BCHEACHENPC1 | |
| SCHEMBL24116761 | 0.87 | POLB (0.60) | SLC1A3CYP1A2BCHEACHENPC1 | |
| SCHEMBL11060563 | 0.83 | CYP1A2 (0.58) | SLC1A3CYP1A2BCHEACHENPC1 | |
| SCHEMBL24116760 | 0.82 | MTNR1A (0.55) | SLC1A3CYP1A2BCHEACHENPC1 | |
| SCHEMBL23130335 | 0.81 | BCHE (0.68) | CYP1A2BCHEACHENPC1RAB9A | |
| SCHEMBL3672719 | 0.80 | ALDH1A1 (0.47) | SLC1A3CYP1A2BCHEACHENPC1 | |
| SCHEMBL15780818 | 0.79 | CYP1A2 (0.48) | SLC1A3CYP1A2BCHEACHENPC1 | |
| SCHEMBL1895598 | 0.79 | SLC1A3 (0.57) | SLC1A3CYP1A2NPC1RAB9AALDH1A1 | |
| SCHEMBL9270943 | 0.79 | FAAH (0.54) | CYP1A2ALDH1A1LMNAFAAHPOLB | |
| SCHEMBL23515260 | 0.78 | MTNR1A (0.51) | SLC1A3CYP1A2BCHEACHENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019201282-A1 | MACROCYCLIC KINASE INHIBITOR | 成都先导药物开发股份有限公司 | 2019-10-24 | — | — | WO | disclosed |