Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.55 |
| ▸ | CDK4 | P11802 | 2/20 | 0.55 |
| ▸ | CCND1 | P24385 | 2/20 | 0.55 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21332156 | 1.00 | MAOB (0.57) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL9691233 | 0.83 | ALDH1A1 (0.59) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL30758793 | 0.82 | ABCB1 (0.60) | MAOBKMT2ATDP1L3MBTL1HTR1A | |
| SCHEMBL22784072 | 0.82 | ABCB1 (0.60) | MAOBKMT2ATDP1L3MBTL1HTR1A | |
| SCHEMBL433401 | 0.82 | CCNB2 (0.72) | KMT2ATDP1L3MBTL1HTR1AADRA1D | |
| SCHEMBL29537861 | 0.82 | CCNB2 (0.72) | KMT2ATDP1L3MBTL1HTR1AADRA1D | |
| SCHEMBL1163495 | 0.82 | MAOB (0.57) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL30804539 | 0.82 | MAOB (0.57) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL7398748 | 0.82 | ENPP2 (0.61) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL26988029 | 0.81 | MAOB (0.56) | MAOBMAOAL3MBTL1HTR1AADRA1D |
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-2024010732-A1 | SMALL MOLECULE INHIBITORS OF GLUTAMINE TRANSPORTER ASCT2 AND METHODS OF USE THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2024-01-11 | — | — | WO | disclosed |