Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4972800 | 1.00 | LMNA (0.45) | LMNAMTNR1AMTNR1BMAOAPTGS1 | |
| SCHEMBL6781747 | 0.80 | ATM (0.44) | ADRA2BADRA2CSLC6A2HTR2AADRA1A | |
| SCHEMBL14842276 | 0.76 | HDAC6 (0.33) | — | |
| SCHEMBL2713474 | 0.76 | HDAC6 (0.33) | — | |
| SCHEMBL2713471 | 0.76 | HDAC6 (0.33) | — | |
| SCHEMBL118082 | 0.75 | ALOX5 (0.47) | LMNACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL6613322 | 0.75 | ALOX5 (0.47) | LMNACYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL8771876 | 0.74 | KDM4E (0.41) | MTNR1AMTNR1BALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28934594 | 0.74 | LMNA (0.50) | LMNAMTNR1AMTNR1BMAOAPTGS1 | |
| SCHEMBL28934593 | 0.74 | LMNA (0.50) | LMNAMTNR1AMTNR1BMAOAPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |