Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL7416089 | 0.91 | ALOX5 (0.44) | SORT1ALOX5ASAH1GAA | |
| SCHEMBL7418844 | 0.89 | SORT1 (0.41) | ALDH1A1CYP2C19MAPK1KDM4ESORT1 | |
| SCHEMBL7421514 | 0.89 | ALDH1A1 (0.44) | ALDH1A1MAPK1KDM4ESMN1; SMN2SORT1 | |
| SCHEMBL7419841 | 0.87 | KDM4E (0.44) | ALDH1A1KDM4ESMN1; SMN2NQO2MMP13 | |
| SCHEMBL7424358 | 0.86 | PSEN1 (0.49) | ALDH1A1CYP2C19CYP1A2SORT1ALOX5 | |
| SCHEMBL7427850 | 0.84 | SORT1 (0.39) | ALDH1A1CYP2C19MAPK1SORT1ALOX5 | |
| SCHEMBL7427316 | 0.84 | SORT1 (0.46) | ALDH1A1CYP2C19MAPK1KDM4ESORT1 | |
| SCHEMBL7421684 | 0.83 | S1PR4 (0.40) | ALDH1A1CYP2C19MAPK1SORT1ALOX5 | |
| SCHEMBL7425626 | 0.82 | MAPK1 (0.47) | ALDH1A1MAPK1KDM4ESMN1; SMN2SORT1 | |
| SCHEMBL7424801 | 0.81 | CTSS (0.46) | ALDH1A1CYP2C19MAPK1SMN1; SMN2MMP1 |
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-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | claimed |
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | disclosed |