Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18520300 | 0.84 | CDC7 (0.52) | PDE2APDE10AALDH1A1GRM6GRM2 | |
| SCHEMBL18520729 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL18520684 | 0.77 | KMT2A (0.37) | PDE2APDE10ASMN1; SMN2GRM2HPGD | |
| SCHEMBL18520686 | 0.73 | BRAF (0.36) | PDE2APDE10AGRM2CYP1A2KMT2A | |
| SCHEMBL18520604 | 0.71 | NPC1 (0.44) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL18520603 | 0.69 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL10984807 | 0.69 | TSPO (0.60) | ALDH1A1GRM6GABRA2GABRB2GABRP | |
| SCHEMBL163381 | 0.69 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2GABRA2GABRB2GABRP | |
| SCHEMBL18520299 | 0.69 | KMT2A (0.43) | ALDH1A1GRM2MAPTHPGDCDC7 | |
| SCHEMBL18520592 | 0.69 | GRM2 (0.40) | ALDH1A1SMN1; SMN2GRM2MAPTHPGD |
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-2017027768-A1 | COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS | THE BROAD INSTITUTE, INC. (US) | 2017-02-16 | — | — | WO | disclosed |