Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.72 |
| ▸ | PKM | P14618 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.59 |
| ▸ | CDK1 | P06493 | 1/20 | 0.59 |
| ▸ | CDK4 | P11802 | 1/20 | 0.59 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.59 |
| ▸ | CCND1 | P24385 | 1/20 | 0.59 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 3/20 | 0.57 |
| ▸ | MAOB | P27338 | 3/20 | 0.57 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.56 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5757598 | 1.00 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMSMN1; SMN2CCNB2 | |
| SCHEMBL13791103 | 0.89 | KDM4E (0.56) | ALDH1A1KDM4EPKMLMNAMAOB | |
| SCHEMBL13678668 | 0.87 | ALDH1A1 (0.55) | ALDH1A1KDM4EPKMLMNALCK | |
| SCHEMBL12617165 | 0.87 | ALDH1A1 (0.76) | ALDH1A1KDM4EPKMSMN1; SMN2CCNB2 | |
| SCHEMBL29971843 | 0.87 | ALDH1A1 (0.76) | ALDH1A1KDM4EPKMSMN1; SMN2CCNB2 | |
| SCHEMBL12617015 | 0.87 | ALDH1A1 (0.76) | ALDH1A1KDM4EPKMSMN1; SMN2CCNB2 | |
| SCHEMBL9599975 | 0.87 | KDM4E (0.74) | ALDH1A1KDM4EPKMSMN1; SMN2MAOA | |
| SCHEMBL9599969 | 0.87 | KDM4E (0.74) | ALDH1A1KDM4EPKMSMN1; SMN2MAOA | |
| SCHEMBL6539306 | 0.86 | GSK3B (0.68) | KDM4ESMN1; SMN2LMNAMAOBAKR1B10 | |
| SCHEMBL6539315 | 0.86 | GSK3B (0.68) | KDM4ESMN1; SMN2LMNAMAOBAKR1B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1270571-B1 | Heterocyclic compounds, their production and use | TAKEDA PHARMACEUTICAL (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1270571-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-6211215-B1 | AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-03 | — | — | US | disclosed |
| EP-0912562-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998003505-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-29 | — | — | WO | disclosed |