Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL19488544 | 0.86 | KDM4E (0.42) | KDM4EALDH1A1GAAPOLBHSD17B10 | |
| SCHEMBL19488883 | 0.85 | DHODH (0.41) | KDM4EALDH1A1GAAPOLBHSD17B10 | |
| SCHEMBL19488872 | 0.77 | SCN3A (0.43) | — | |
| SCHEMBL19488645 | 0.75 | KDM4E (0.38) | KDM4EALDH1A1GAAPOLBHSD17B10 | |
| SCHEMBL19488875 | 0.74 | DHODH (0.35) | — | |
| SCHEMBL19488884 | 0.73 | ALDH1A1 (0.39) | KDM4EALDH1A1GAAPOLBHSD17B10 | |
| SCHEMBL19488329 | 0.73 | HDAC3 (0.38) | TP53SMN1; SMN2MAPT | |
| SCHEMBL19488652 | 0.71 | KDM4E (0.38) | KDM4EALDH1A1GAAPOLBHSD17B10 | |
| SCHEMBL19488889 | 0.71 | ALDH1A1 (0.35) | KDM4EALDH1A1GAAPOLBHSD17B10 | |
| SCHEMBL19488646 | 0.70 | MAPT (0.34) | KDM4EALDH1A1TP53HPGDSMN1; SMN2 |
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-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |