Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7290587 | 0.95 | PIK3CD (0.47) | ACHEPIK3CDKMT2ADRD2DRD3 | |
| SCHEMBL1418946 | 0.81 | PIK3CD (0.44) | PIK3CDKMT2AL3MBTL1CYP1A2CHRM2 | |
| SCHEMBL10264989 | 0.80 | L3MBTL1 (0.45) | ACHEPIK3CDKMT2AL3MBTL1CYP1A2 | |
| SCHEMBL1117522 | 0.79 | PIK3CD (0.48) | ACHEPIK3CDKMT2AL3MBTL1CYP1A2 | |
| Hydrochloric Acid SCHEMBL319484 | 0.79 | L3MBTL1 (0.44) | ACHEPIK3CDKMT2AL3MBTL1CYP1A2 | |
| SCHEMBL2094392 | 0.78 | ACHE (0.42) | ACHEPIK3CDKMT2ATSHRMEN1 | |
| SCHEMBL608052 | 0.77 | L3MBTL1 (0.49) | ACHEPIK3CDKMT2AL3MBTL1CYP1A2 | |
| Hydrochloric Acid SCHEMBL3058227 | 0.77 | PIK3CD (0.47) | ACHEPIK3CDKMT2AL3MBTL1CYP1A2 | |
| SCHEMBL13893014 | 0.76 | PIK3CD (0.50) | PIK3CDKMT2ACYP1A2CHRM2CHRM4 | |
| SCHEMBL1527589 | 0.76 | RAB9A (0.46) | PIK3CDKMT2AL3MBTL1CYP1A2CHRM2 |
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-5001113-A | Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO., INC. (US) | 1991-03-19 | — | — | US | disclosed |