Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL10509547 | 0.96 | NPC1 (0.49) | NPC1RAB9APDE10AALDH1A1KDM4E | |
| SCHEMBL31192169 | 0.95 | PDE10A (0.48) | NPC1RAB9APDE10AALDH1A1KDM4E | |
| SCHEMBL3559837 | 0.95 | PDE10A (0.48) | NPC1RAB9APDE10AALDH1A1KDM4E | |
| SCHEMBL10509900 | 0.86 | HTR2C (0.54) | ALDH1A1KDM4EHTR3EHTR3BCYP1A2 | |
| SCHEMBL8588025 | 0.85 | HTR3E (0.59) | ALDH1A1KDM4EHTR3EHTR3BCYP1A2 | |
| SCHEMBL10508746 | 0.85 | NPC1 (0.45) | NPC1RAB9APDE10AALDH1A1KDM4E | |
| SCHEMBL10507905 | 0.85 | GAA (0.54) | NPC1RAB9APDE10ACYP1A2HTT | |
| SCHEMBL275590 | 0.75 | NPC1 (0.53) | NPC1RAB9APDE10AALDH1A1KDM4E | |
| SCHEMBL23744098 | 0.74 | PDE10A (0.48) | PDE10AALDH1A1 | |
| SCHEMBL10508764 | 0.74 | PDE10A (0.48) | PDE10AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0514268-A1 | Substituted amino acid azetidinyl pyridone derivatives, their preparation and use as medicines | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1992-11-19 | — | — | EP | claimed |
| EP-1747222-A1 | PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR | Proskelia SAS (FR) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005123734-A1 | PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR | PROSKELIA SAS (FR) | 2005-12-29 | — | — | WO | disclosed |