Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28107904 | 0.87 | ACHE (0.43) | ACHECA2CA5AMAPTPOLB | |
| SCHEMBL10798207 | 0.71 | ACHE (0.47) | ACHECA2CA5AMAPTPOLB | |
| SCHEMBL28413209 | 0.71 | LCK (0.39) | KDM4ESMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL9204144 | 0.70 | ACHE (0.46) | ACHECA2CA5AMAPTPOLB | |
| Hydrochloric Acid SCHEMBL27919833 | 0.70 | ACHE (0.46) | ACHECA2CA5AMAPTPOLB | |
| SCHEMBL27919692 | 0.70 | ASIC3 (0.47) | ACHECA2CA5A | |
| SCHEMBL1648356 | 0.70 | PNMT (0.53) | — | |
| Hydrochloric Acid SCHEMBL27835837 | 0.69 | PNMT (0.51) | — | |
| SCHEMBL9404815 | 0.68 | CA2 (0.47) | ACHECA2CA5AMAPTPOLB | |
| SCHEMBL31758052 | 0.67 | PNMT (0.43) | ACHEMAPTGAATDP1 |
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-104755465-A | Heterocyclic compounds | TAKEDA PHARMACEUTICAL | 2015-07-01 | — | — | CN | disclosed |