Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.52 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774496 | 0.87 | RAB9A (0.49) | ALDH1A1LMNAPOLBCHRNA7MAPT | |
| SCHEMBL8774768 | 0.84 | NPC1 (0.54) | ALDH1A1CYP19A1RAB9AL3MBTL1KDM4E | |
| SCHEMBL8774531 | 0.83 | NPC1 (0.52) | ALDH1A1CYP19A1RAB9AL3MBTL1KDM4E | |
| SCHEMBL8774839 | 0.79 | EGLN1 (0.45) | ALDH1A1CHRNA7TDP1RAB9AL3MBTL1 | |
| SCHEMBL15918740 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LMNAPOLBNQO1KMT2A | |
| SCHEMBL13756271 | 0.78 | NQO1 (0.64) | ALDH1A1POLBCHRNA7NQO1KMT2A | |
| SCHEMBL8774190 | 0.78 | ALDH1A1 (0.51) | ALDH1A1LMNAPOLBNQO1KMT2A | |
| SCHEMBL8774402 | 0.78 | ALDH1A1 (0.51) | ALDH1A1LMNAPOLBNQO1KMT2A | |
| SCHEMBL9155808 | 0.77 | NQO1 (0.52) | CHRNA7NQO1KMT2AMAPTTDP1 | |
| SCHEMBL8774882 | 0.77 | RAB9A (0.41) | ALDH1A1POLBKMT2AMAPTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |