Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | FASN | P49327 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3735175 | 0.80 | CYP3A4 (0.47) | CYP3A4MAPK1SMN1; SMN2USP2MAPT | |
| SCHEMBL13601793 | 0.78 | CYP3A4 (1.00) | CYP3A4MAPK1SMN1; SMN2USP2MAPT | |
| SCHEMBL801824 | 0.76 | LMNA (0.62) | CYP3A4KMT2AMEN1LMNAPKM | |
| SCHEMBL29664473 | 0.74 | CYP3A4 (0.58) | CYP3A4MAPK1SMN1; SMN2USP2MAPT | |
| SCHEMBL28132534 | 0.73 | CYP3A4 (0.77) | CYP3A4MAPK1SMN1; SMN2USP2KMT2A | |
| SCHEMBL30892441 | 0.73 | CYP3A4 (0.73) | CYP3A4MAPTKMT2AMEN1POLB | |
| SCHEMBL5588217 | 0.73 | CYP3A4 (0.56) | CYP3A4MAPTKMT2AMEN1POLB | |
| SCHEMBL14511729 | 0.73 | CYP3A4 (0.56) | CYP3A4MAPTKMT2AMEN1POLB | |
| SCHEMBL16226897 | 0.73 | CYP3A4 (0.56) | CYP3A4MAPK1SMN1; SMN2USP2MAPT | |
| SCHEMBL31055010 | 0.73 | CYP3A4 (0.77) | CYP3A4MAPK1SMN1; SMN2USP2KMT2A |
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-2017093938-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | VIIV HEALTHCARE UK LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |