Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | APP | P05067 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | BACE1 | P56817 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11748682 | 0.83 | GSK3B (0.51) | NFE2L2MAPTAPPALDH1A1BACE1 | |
| SCHEMBL1087827 | 0.79 | KMO (0.56) | KMONR1H4MAPTAPPALDH1A1 | |
| SCHEMBL1088947 | 0.79 | KMO (0.56) | KMONR1H4MAPTAPPALDH1A1 | |
| SCHEMBL1088373 | 0.77 | KMO (0.54) | KMONR1H4MAPTAPPALDH1A1 | |
| SCHEMBL6954034 | 0.77 | BACE1 (0.55) | NFE2L2MAPTAPPALDH1A1BACE1 | |
| SCHEMBL6954978 | 0.75 | BACE1 (0.68) | NFE2L2MAPTAPPALDH1A1BACE1 | |
| SCHEMBL6960590 | 0.75 | CYP1A2 (0.59) | NFE2L2MAPTAPPALDH1A1CYP2D6 | |
| SCHEMBL6955898 | 0.75 | NFE2L2 (0.50) | NFE2L2MAPTAPPALDH1A1BACE1 | |
| SCHEMBL10666534 | 0.75 | MAOB (0.59) | NR1H4NFE2L2MAPTBACE1CYP2D6 | |
| SCHEMBL10666536 | 0.75 | MAOB (0.59) | NR1H4NFE2L2MAPTBACE1CYP2D6 |
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-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |