Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565533 | 1.00 | TAAR1 (0.35) | TAAR1PTPN1CDC25BTSHRALDH1A1 | |
| SCHEMBL9565507 | 0.89 | TAAR1 (0.36) | TAAR1PTPN1CDC25BTSHRLMNA | |
| SCHEMBL9565504 | 0.89 | TAAR1 (0.36) | TAAR1PTPN1CDC25BTSHRLMNA | |
| SCHEMBL9565511 | 0.89 | TAAR1 (0.36) | TAAR1PTPN1CDC25BTSHRLMNA | |
| SCHEMBL9565548 | 0.81 | ALDH1A1 (0.34) | TAAR1PTPN1CDC25BTSHRALDH1A1 | |
| SCHEMBL9565527 | 0.81 | ALDH1A1 (0.34) | TAAR1PTPN1CDC25BTSHRALDH1A1 | |
| SCHEMBL9565525 | 0.81 | ALDH1A1 (0.34) | TAAR1PTPN1CDC25BTSHRALDH1A1 | |
| SCHEMBL9565519 | 0.75 | TAAR1 (0.37) | TAAR1PTPN1CDC25BTSHRLMNA | |
| SCHEMBL9565517 | 0.75 | TAAR1 (0.37) | TAAR1PTPN1CDC25BTSHRLMNA | |
| SCHEMBL9565521 | 0.75 | TAAR1 (0.37) | TAAR1PTPN1CDC25BTSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0554025-A2 | Fluorinated cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1993-08-04 | — | — | EP | disclosed |