Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7172679 | 0.99 | ALDH1A1 (0.49) | ALDH1A1MAPTPTGS2NPC1LMNA | |
| SCHEMBL7358671 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAKDM4EKMT2A | |
| SCHEMBL28985111 | 0.85 | NPC1 (0.51) | ALDH1A1MAPTPTGS2NPC1LMNA | |
| Hydrochloric Acid SCHEMBL7168369 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAKDM4EKMT2A | |
| SCHEMBL18404686 | 0.82 | POLB (0.43) | ALDH1A1MAPTLMNAKMT2AHTT | |
| SCHEMBL18404162 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAKDM4EGAA | |
| Hydrochloric Acid SCHEMBL7176288 | 0.81 | MAPT (0.42) | MAPTKDM4EKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL7178291 | 0.80 | MAPT (0.46) | ALDH1A1MAPTLMNAKDM4EKMT2A | |
| SCHEMBL6517068 | 0.80 | PPARG (0.47) | ALDH1A1MAPTPTGS2NPC1LMNA | |
| SCHEMBL6667674 | 0.79 | MEN1 (0.51) | ALDH1A1MAPTGAAKMT2AHPGD |
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-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |