Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 7/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31029517 | 0.84 | KMT2A (0.41) | KMT2ACYP1A2MAPTGAAALDH1A1 | |
| SCHEMBL6244032 | 0.82 | MAOB (0.48) | KMT2AMAOBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL38660021 | 0.76 | MAOB (0.47) | KMT2AMAOBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28425351 | 0.76 | CYP3A4 (0.48) | ALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL760366 | 0.76 | MAOB (0.47) | KMT2AMAOBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6206276 | 0.75 | — | — | |
| SCHEMBL30882003 | 0.74 | ACHE (0.56) | KMT2ASLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL3748971 | 0.74 | ACHE (0.56) | KMT2ASLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL27857334 | 0.74 | SLC6A2 (0.42) | KMT2ASLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL13379205 | 0.74 | ALDH1A1 (0.54) | KMT2AMAOBMAPTGAARECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005010028-A1 | ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF | LUPIN LIMITED (IN) | 2005-02-03 | — | — | WO | claimed |
| WO-2005010028-A1 | ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF | LUPIN LIMITED (IN) | 2005-02-03 | — | — | WO | disclosed |