Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27436776 | 1.00 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL8752092 | 0.91 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL28137705 | 0.84 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL4613459 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL28235997 | 0.83 | TSHR (0.41) | ALDH1A1TDP1MAPTTSHR | |
| SCHEMBL28236000 | 0.83 | HCAR2 (0.35) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL13424249 | 0.82 | CYP3A4 (0.46) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL335607 | 0.81 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL10671854 | 0.81 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10TDP1MEN1 | |
| SCHEMBL30411265 | 0.80 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10TDP1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220297-B1 | NITROGEN-CONTAINING HETEROCYCLES | MERCK PATENT GmbH (DE) | 1991-12-11 | — | — | EP | disclosed |
| EP-0220297-A1 | NITROGEN-CONTAINING HETEROCYCLES. | MERCK PATENT GMBH (DE) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006373-A1 | NITROGEN-CONTAINING HETEROCYCLES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-11-06 | — | — | WO | disclosed |