Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PPP5C | P53041 | 2/20 | 0.31 |
| ▸ | PPP2CA | P67775 | 1/20 | 0.31 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.31 |
| ▸ | NPY4R | P50391 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.30 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL21301425 | 0.75 | CYP1A2 (0.50) | CYP1A2TDP1MGLLPHGDHHTT | |
| SCHEMBL13563361 | 0.71 | CYP1A2 (0.45) | CYP1A2TDP1MGLLPHGDHHTT | |
| SCHEMBL13372047 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL23311474 | 0.67 | CYP1A2 (0.41) | CYP1A2TDP1MGLLPHGDHHTT | |
| SCHEMBL180337 | 0.66 | CYP1A2 (0.54) | CYP1A2TDP1MGLLPHGDHHTT | |
| SCHEMBL12810918 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL20633110 | 0.66 | HTT (0.45) | CYP1A2TDP1MGLLPHGDHHTT | |
| SCHEMBL14731902 | 0.65 | — | — | |
| SCHEMBL16532746 | 0.64 | KMT2A (0.39) | HTTLMNAMAPK1DUSP3HSD17B10 | |
| SCHEMBL18484509 | 0.63 | CYP1A2 (0.33) | CYP1A2TDP1MGLLPHGDH |
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-2011143660-A2 | COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-11-17 | — | — | WO | disclosed |