Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 3/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9225076 | 0.84 | ALDH1A1 (0.41) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| Adipic Acid SCHEMBL10598846 | 0.81 | ALDH1A1 (0.44) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL11751802 | 0.78 | ALDH1A1 (0.42) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL19148633 | 0.78 | ALDH1A1 (0.42) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL668614 | 0.78 | ALDH1A1 (0.42) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL29264079 | 0.76 | ALDH1A1 (0.43) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL19148632 | 0.76 | ALDH1A1 (0.39) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL8745903 | 0.76 | ALDH1A1 (0.39) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| SCHEMBL11323557 | 0.75 | ALDH1A1 (0.40) | ALDH1A1EPHX2EPHX1KDM5APHF8 | |
| Hydrochloric Acid SCHEMBL8745885 | 0.74 | ALDH1A1 (0.38) | ALDH1A1EPHX2EPHX1KDM5APHF8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5378691-A | Amino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-01-03 | — | — | US | disclosed |
| US-5215967-A | AMINOACID DERIVATIVES INHIBITING RENIN | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-06-01 | — | — | US | disclosed |
| CN-1037155-A | Amino acid derivative | MERCK PATENT GMBH (DE) | 1989-11-15 | — | — | CN | disclosed |
| US-4746649-A | Diamino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1988-05-24 | — | — | US | disclosed |