Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SOS1 | Q07889 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | CA9 | Q16790 | 7/20 | 0.41 |
| ▸ | CA7 | P43166 | 6/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.37 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4710033 | 0.83 | RXFP1 (0.47) | ALDH1A1PKMCA12CA1CA2 | |
| SCHEMBL3307837 | 0.81 | CA2 (0.50) | CA12CA1CA2CA9RXFP1 | |
| SCHEMBL31609687 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HTTTSHRRIPK2KDR | |
| SCHEMBL4640548 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HTTTSHRRIPK2KDR | |
| SCHEMBL16478922 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTRIPK2MAPK1SMN1; SMN2 | |
| SCHEMBL2213483 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HTTSOS1CA12CA1 | |
| SCHEMBL31070287 | 0.74 | CYP19A1 (0.42) | ALDH1A1PKMMAPK1 | |
| SCHEMBL16473191 | 0.74 | RAB9A (0.45) | ALDH1A1MAPK1 | |
| SCHEMBL4238576 | 0.73 | RXFP1 (0.60) | ALDH1A1PKMCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL14895505 | 0.72 | RXFP1 (0.58) | ALDH1A1PKMCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552216-B1 | DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID | MILLENNIUM PHARM INC (US) | 2018-01-24 | — | — | EP | disclosed |