Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL7069267 | 0.79 | ALDH1A1 (0.33) | MAPTKDM4EABCB11ALDH1A1TP53 | |
| SCHEMBL7069264 | 0.79 | ALDH1A1 (0.33) | MAPTKDM4EABCB11ALDH1A1TP53 | |
| SCHEMBL28634060 | 0.79 | ALDH1A1 (0.36) | MAPTKDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL7886462 | 0.76 | HPGD (0.40) | MAPTKDM4EABCB11ALDH1A1TP53 | |
| SCHEMBL7886467 | 0.76 | HPGD (0.40) | MAPTKDM4EABCB11ALDH1A1TP53 | |
| SCHEMBL17310702 | 0.74 | ALDH1A1 (0.58) | MAPTKDM4EALDH1A1TP53CYP2C19 | |
| SCHEMBL7866217 | 0.73 | CYP2D6 (0.34) | MAPTKDM4EALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL7866209 | 0.73 | CYP2D6 (0.34) | MAPTKDM4EALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL28623546 | 0.72 | ALDH1A1 (0.32) | MAPTKDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL221121 | 0.72 | PTGS2 (0.39) | MAPTKDM4EABCB11ALDH1A1TP53 |
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-1994022846-A1 | COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS | PFIZER INC. (US) | 1994-10-13 | — | — | WO | disclosed |