Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL10215944 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL10220068 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL125382 | 0.75 | — | — | |
| SCHEMBL14658202 | 0.75 | SMN1; SMN2 (0.58) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL18272610 | 0.74 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL13107064 | 0.71 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL127696 | 0.71 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL14257319 | 0.70 | CYP1A2 (0.54) | SMN1; SMN2ALDH1A1TDP1TSHR | |
| SCHEMBL125673 | 0.69 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 | |
| SCHEMBL10215469 | 0.68 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1TDP1TSHRUSP2 |
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-2016089797-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | WO | disclosed |