Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27726654 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL28773726 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL3820448 | 0.81 | ALDH1A1 (0.74) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL8505530 | 0.81 | TDP1 (0.50) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL23812450 | 0.80 | TDP1 (0.64) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL23812437 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL27747355 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL27726822 | 0.77 | RAB9A (0.43) | ALDH1A1TDP1TSHRL3MBTL1MAPT | |
| SCHEMBL6373707 | 0.77 | KMT2A (0.52) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 | |
| SCHEMBL6139502 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRL3MBTL1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101351455-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-01-21 | — | — | CN | disclosed |