Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | NEK2 | P51955 | 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 | |
|---|---|---|---|---|
| SCHEMBL1011883 | 0.82 | TDP1 (0.52) | TDP1CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL21331765 | 0.78 | MAPT (0.41) | TDP1CYP3A4HTR6MAPTGAA | |
| SCHEMBL28294523 | 0.76 | CYP3A4 (0.41) | TDP1CYP3A4KDM4EALDH1A1TSHR | |
| SCHEMBL12774293 | 0.75 | MAPT (0.40) | TDP1HTR6MAPTGAAKDM4E | |
| SCHEMBL20873230 | 0.75 | TDP1 (0.44) | TDP1CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL23182095 | 0.73 | CYP3A4 (0.42) | TDP1CYP3A4MAPTGAAKDM4E | |
| SCHEMBL20697881 | 0.73 | TRPA1 (0.45) | TDP1CYP3A4MAPTGAAKDM4E | |
| SCHEMBL19251642 | 0.73 | CYP3A4 (0.42) | TDP1CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL720170 | 0.73 | DRD1 (0.39) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL1622430 | 0.72 | TDP1 (0.46) | TDP1CYP3A4HTR6MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231570-A1 | RHODIUM-PHOSPHORUS COMPLEXES AND THEIR USE IN RING OPENING REACTIONS | Laboratorios del Dr. Esteve S.A. (ES) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074496-A1 | RHODIUM-PHOSPHORUS COMPLEXES AND THEIR USE IN RING OPENING REACTIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-06-18 | — | — | WO | disclosed |