Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4201093 | 0.86 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL8543146 | 0.82 | MAPT (0.40) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL4204225 | 0.75 | PRKAG1 (0.41) | ALDH1A1LMNAMAPTSMN1; SMN2GRIA1 | |
| SCHEMBL8543066 | 0.73 | KDM4E (0.44) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL4197956 | 0.71 | THRB (0.36) | LMNAMAPTSMN1; SMN2GRIA1MEN1 | |
| SCHEMBL640124 | 0.71 | GRIA1 (0.70) | ALDH1A1LMNAMAPTSMN1; SMN2GRIA1 | |
| SCHEMBL5792436 | 0.69 | SMYD3 (0.52) | — | |
| SCHEMBL11755601 | 0.68 | ALDH1A1 (0.72) | ALDH1A1MAPTSMN1; SMN2HTTPAX8 | |
| SCHEMBL1427082 | 0.68 | ERCC5 (0.59) | ALDH1A1LMNAMAPTSMN1; SMN2RAB9A | |
| SCHEMBL8543156 | 0.67 | SMYD3 (0.42) | — |
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-0709384-B1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | EP | disclosed |
| US-5698553-A | Benzylpiperidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-16 | — | — | US | disclosed |
| EP-0709384-A1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GmbH (DE) | 1996-05-01 | — | — | EP | disclosed |