Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CPT2 | P23786 | 1/20 | 0.41 |
| ▸ | CPT1A | P50416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5187738 | 0.90 | ACHE (0.47) | BCHEHTTKDM4EALDH1A1ACHE | |
| SCHEMBL5188684 | 0.85 | KDM4E (0.45) | BCHEKDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL5189076 | 0.78 | HTR1A (0.45) | HTTSMN1; SMN2HRH3KDM4EALDH1A1 | |
| SCHEMBL4658971 | 0.73 | HRH3 (0.64) | BCHEHRH3CXCR4ACHE | |
| SCHEMBL5188224 | 0.72 | KDM4E (0.43) | KDM4EALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL3762996 | 0.72 | ACHE (0.49) | BCHEHTTKDM4EALDH1A1ACHE | |
| SCHEMBL5186000 | 0.71 | NPC1 (0.47) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL31164812 | 0.68 | NPC1 (0.61) | SMN1; SMN2MEN1KMT2A | |
| N-Benzylmethylamine SCHEMBL5556336 | 0.68 | NCF1 (0.50) | HRH3KDM4EKMT2A | |
| SCHEMBL2095210 | 0.68 | NPC1 (0.67) | SMN1; SMN2MEN1KMT2A |
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-1751101-B1 | Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | claimed |
| EP-1751101-A1 | SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES | Grünenthal GmbH (DE) | 2007-02-14 | — | — | EP | claimed |
| WO-2005113497-A1 | SUBSTITUTED 5-AMINOMETHYL-1H-PYRROL-2-CARBXYLIC ACID AMIDES | Grünenthal GmbH (DE) | 2005-12-01 | — | — | WO | claimed |