Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1983658 | 0.85 | TSHR (0.32) | THRBLMNATP53 | |
| SCHEMBL154543 | 0.83 | TP53 (0.37) | CA1CA2SMN1; SMN2ESR1ADRA2A | |
| SCHEMBL9820081 | 0.80 | ALDH1A1 (0.44) | THRATHRBSMN1; SMN2ESR1ADRA2A | |
| SCHEMBL2701941 | 0.80 | TSHR (0.34) | CA1CA2ESR1ADRA2AADORA3 | |
| SCHEMBL2700599 | 0.80 | ALDH1A1 (0.34) | THRATHRBESR1ADRA2AADORA3 | |
| SCHEMBL7217523 | 0.79 | SMN1; SMN2 (0.40) | SMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL15648819 | 0.79 | BDKRB2 (0.36) | SMN1; SMN2KDM4EALDH1A1LMNATP53 | |
| SCHEMBL15648671 | 0.79 | BDKRB2 (0.36) | SMN1; SMN2KDM4EALDH1A1LMNATP53 | |
| SCHEMBL4556641 | 0.78 | ESR1 (0.55) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL18770760 | 0.77 | HTR2A (0.58) | CA2SMN1; SMN2ADRA2ASLC6A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008074078-A1 | SELECTIVELY DELIVERABLE ISATIN-BASED CYTOTOXIC AGENTS | UNIVERSITY OF WOLLONGONG (AU) | 2008-06-26 | — | — | WO | disclosed |