Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11217895 | 0.95 | ALDH1A1 (0.51) | ALDH1A1FAAHNOD1MAPTSLC6A5 | |
| SCHEMBL3160513 | 0.93 | ALDH1A1 (0.50) | ALDH1A1FAAHNOD1MAPTSLC6A5 | |
| SCHEMBL10679490 | 0.89 | ALDH1A1 (0.41) | ALDH1A1FAAHNOD1ACHEBACE1 | |
| SCHEMBL27863643 | 0.86 | FAAH (0.42) | ALDH1A1FAAHCA2MAPK1ACHE | |
| SCHEMBL1062834 | 0.82 | FOLH1 (0.42) | ALDH1A1CA2MAPTSMN1; SMN2SLC6A5 | |
| SCHEMBL20586820 | 0.82 | FOLH1 (0.42) | ALDH1A1CA2MAPTSMN1; SMN2SLC6A5 | |
| SCHEMBL1062835 | 0.82 | FOLH1 (0.42) | ALDH1A1CA2MAPTSMN1; SMN2SLC6A5 | |
| SCHEMBL614517 | 0.81 | ALDH1A1 (0.36) | ALDH1A1FAAHMAPTSMN1; SMN2HPGD | |
| SCHEMBL861645 | 0.81 | FOLH1 (0.49) | CA2SLC6A5 | |
| SCHEMBL29666181 | 0.81 | FOLH1 (0.49) | CA2SLC6A5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0304685-B1 | PROCESS FOR THE PREPARATION OF N-ALKYLOCAPROLACTAMS | BAYER AG (DE) | 1991-10-16 | — | — | EP | claimed |
| US-4873326-A | Process for the preparation of N-alkylated caprolactams | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-10 | — | — | US | claimed |
| JP-1066168-A | — | — | None | — | — | JP | disclosed |
| US-4873326-A | Process for the preparation of N-alkylated caprolactams | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-10 | — | — | US | disclosed |
| US-4082792-A | SECONDARY ALKYL PRIMARY AMINE, ALKENOIC ACID, PRIMARY OR SECONDARY ALCOHOL | TEXACO INC. (US) | 1978-04-04 | — | — | US | disclosed |
| US-3976682-A | ALKYLAMMONIUM ALKYLAMINOALKANOATES, FREEZE-THAW ADDITIVE, CORROSION INHIBITOR, PIGMENT GRINDING | TEXACO INC. (US) | 1976-08-24 | — | — | US | disclosed |