Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.49 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.48 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945441 | 0.83 | VKORC1 (0.67) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL8945462 | 0.82 | NQO1 (0.55) | ALDH1A1VKORC1ADORA3KMT2AMEN1 | |
| SCHEMBL6957985 | 0.81 | NQO1 (0.60) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL8945405 | 0.81 | VKORC1 (0.50) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL4960728 | 0.81 | VKORC1 (0.64) | ALDH1A1VKORC1ADORA3KMT2AMEN1 | |
| SCHEMBL8945691 | 0.81 | VKORC1 (0.52) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL8934599 | 0.81 | VKORC1 (0.52) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL8945228 | 0.80 | VKORC1 (0.59) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL8945383 | 0.78 | VKORC1 (0.48) | ALDH1A1VKORC1KMT2AMEN1TSHR | |
| SCHEMBL8934490 | 0.77 | VKORC1 (0.68) | ALDH1A1VKORC1KMT2AMEN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |