Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20663341 | 0.82 | RAB9A (0.57) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL11667712 | 0.80 | CYP3A4 (0.50) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL12181231 | 0.77 | CYP3A4 (0.52) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL183133 | 0.77 | CYP3A4 (0.52) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL15417588 | 0.76 | NPC1 (0.50) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL30948595 | 0.76 | TDP1 (0.48) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL14159459 | 0.76 | CYP3A4 (0.56) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL15919036 | 0.74 | ALDH1A1 (0.48) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL12634180 | 0.74 | CYP3A4 (0.43) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 | |
| SCHEMBL21872427 | 0.73 | NFE2L2 (0.36) | CYP3A4TDP1ALOX15SMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3226690-B1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME (US) | 2020-05-20 | — | — | EP | disclosed |