Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL23868691 | 0.84 | ALDH1A1 (0.70) | TP53SMN1; SMN2ALDH1A1CYP3A4TSHR | |
| SCHEMBL7294504 | 0.79 | L3MBTL1 (0.62) | TP53SMN1; SMN2L3MBTL1SPHK2SPHK1 | |
| SCHEMBL7295341 | 0.77 | SPHK2 (0.59) | TP53SMN1; SMN2L3MBTL1SPHK2SPHK1 | |
| SCHEMBL16067423 | 0.77 | L3MBTL1 (0.72) | TP53SMN1; SMN2L3MBTL1CYP3A4TDP1 | |
| SCHEMBL4748124 | 0.77 | L3MBTL1 (0.55) | TP53SMN1; SMN2L3MBTL1CYP3A4SPHK2 | |
| SCHEMBL11166490 | 0.76 | ALDH1A1 (0.57) | TP53SMN1; SMN2ALDH1A1CYP3A4TSHR | |
| SCHEMBL623461 | 0.75 | ALDH1A1 (0.74) | TP53SMN1; SMN2ALDH1A1CYP3A4TSHR | |
| SCHEMBL8840853 | 0.75 | ALDH1A1 (0.80) | TP53SMN1; SMN2ALDH1A1CYP3A4TSHR | |
| SCHEMBL7389081 | 0.74 | ALDH1A1 (0.56) | TP53SMN1; SMN2L3MBTL1ALDH1A1TSHR | |
| SCHEMBL18812748 | 0.74 | ALDH1A1 (0.68) | TP53SMN1; SMN2ALDH1A1CYP3A4TSHR |
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-1056743-A1 | BENZAMINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999031092-A1 | BENZAMINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |