Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL16158005 | 0.86 | KDM4E (0.45) | CYP3A4KDM4EHTTHSD17B10MAPT | |
| SCHEMBL17697579 | 0.86 | CYP3A4 (0.41) | CYP3A4KDM4EHTTHSD17B10MAPT | |
| SCHEMBL25639161 | 0.82 | CYP3A4 (0.39) | CYP3A4KDM4EHTTHSD17B10MAPT | |
| SCHEMBL19788770 | 0.82 | CYP3A4 (0.39) | CYP3A4KDM4EHTTHSD17B10MAPT | |
| SCHEMBL23653934 | 0.81 | CNR2 (0.33) | KDM4EHTTMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL16006819 | 0.80 | CRHR1 (0.38) | KDM4E | |
| SCHEMBL17761168 | 0.78 | PDE2A (0.30) | — | |
| SCHEMBL17621602 | 0.76 | SMN1; SMN2 (0.37) | CYP3A4KDM4EHTTHSD17B10MAPT | |
| SCHEMBL16006422 | 0.75 | ALDH1A1 (0.43) | KDM4EHTTHSD17B10MAPTCASP1 | |
| SCHEMBL16157903 | 0.74 | ALDH1A1 (0.43) | KDM4EHTTHSD17B10MAPTCASP1 |
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-2961742-B1 | AMIDE COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES INC (US) | 2018-08-01 | — | — | EP | disclosed |