Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2644603 | 1.00 | CA1 (0.53) | CA1CA2ABL1PIM1GPR3 | |
| SCHEMBL2644779 | 0.96 | CA1 (0.52) | CA1CA2ABL1PIM1GPR3 | |
| SCHEMBL29953766 | 0.96 | CA1 (0.52) | CA1CA2ABL1PIM1GPR3 | |
| SCHEMBL29957100 | 0.79 | CA1 (0.53) | CA1CA2ABL1KMT2AENPP2 | |
| SCHEMBL147828 | 0.79 | CA2 (0.52) | CA1CA2ABL1KDM4EMGLL | |
| SCHEMBL28784898 | 0.77 | CA2 (0.76) | CA1CA2KDM4EMGLLENPP2 | |
| SCHEMBL28261 | 0.77 | ENPP2 (0.58) | CA1CA2ABL1GPR3KDM4E | |
| SCHEMBL29952001 | 0.77 | ENPP2 (0.61) | CA1CA2KDM4EENPP2RAB9A | |
| SCHEMBL4079835 | 0.77 | ENPP2 (0.61) | CA1CA2KDM4EENPP2RAB9A | |
| SCHEMBL23247257 | 0.76 | NPC1 (0.44) | ABL1PIM1GAANPC1RAB9A |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |