Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL9649697 | 0.86 | CA2 (0.42) | KDM4EALDH1A1LMNAHSP90AA1TSHR | |
| SCHEMBL28642071 | 0.84 | SOS1 (0.45) | SMN1; SMN2HTR2ASLC6A4KCNH2TSHR | |
| SCHEMBL1512534 | 0.81 | ESR1 (0.53) | KDM4EALDH1A1PPARGPPARALMNA | |
| SCHEMBL27697768 | 0.81 | KDM4E (0.43) | KDM4EALDH1A1PPARGPPARALMNA | |
| SCHEMBL3017398 | 0.79 | BCL9 (0.51) | KDM4EALDH1A1PPARGPPARALMNA | |
| SCHEMBL2927179 | 0.79 | KMT2A (0.47) | KDM4EALDH1A1LMNASMN1; SMN2CA1 | |
| SCHEMBL23753577 | 0.79 | MEN1 (0.57) | KDM4EALDH1A1PPARGPPARALMNA | |
| SCHEMBL28306740 | 0.77 | KMT2A (0.46) | KDM4EALDH1A1LMNACYP2D6CYP2C19 | |
| SCHEMBL28847251 | 0.77 | KMT2A (0.46) | KDM4EALDH1A1LMNACYP2D6CYP2C19 | |
| SCHEMBL19331388 | 0.76 | WDR5 (0.47) | KDM4EPPARGSMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101600700-B | Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders | HOFFMANN LA ROCHE | 2013-08-21 | — | — | CN | disclosed |
| CN-101600700-A | Novel 2-aminooxazolines as TAAR1 ligands for CNS disorders | HOFFMANN LA ROCHE (CH) | 2009-12-09 | — | — | CN | disclosed |
| EP-0254578-A1 | Antibiotic intermediates | ELI LILLY AND COMPANY (US) | 1988-01-27 | — | — | EP | disclosed |