Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.32 |
| ▸ | LPO | P22079 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942777 | 0.80 | ESR1 (0.35) | KMT2AALOX15 | |
| SCHEMBL6278260 | 0.78 | LMNA (0.31) | ALDH1A1KDM4ELMNATSHR | |
| SCHEMBL18203168 | 0.78 | — | — | |
| SCHEMBL16799603 | 0.77 | — | — | |
| SCHEMBL19332068 | 0.76 | KMT2A (0.36) | KMT2AMAPTKDM4EMEN1MMP2 | |
| SCHEMBL5499066 | 0.76 | — | — | |
| SCHEMBL8958271 | 0.76 | MEN1 (0.31) | KMT2AMEN1 | |
| SCHEMBL5676961 | 0.75 | — | — | |
| SCHEMBL7039112 | 0.75 | MAPT (0.35) | ALDH1A1KMT2AMAPTKDM4EMEN1 | |
| SCHEMBL7127288 | 0.74 | MGAM (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5264586-A | Antibiotics, antitumor, chemical intermediates | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-11-23 | — | — | US | disclosed |
| WO-1993001810-A1 | ANALOGS OF CALICHEAMICIN η1I, METHOD OF MAKING AND USING THE SAME | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-02-04 | — | — | WO | disclosed |