Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | DPP4 | P27487 | 7/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077493 | 1.00 | EPHX2 (0.48) | EPHX2DPP4ITGB3ITGA2BMETAP1 | |
| SCHEMBL22687353 | 0.91 | ITGB3 (0.41) | DPP4ITGB3ITGA2BMETAP1DPP7 | |
| SCHEMBL75440 | 0.91 | — | — | |
| Bicarbonate SCHEMBL10725172 | 0.88 | ITGB3 (0.41) | DPP4ITGB3ITGA2BMETAP1DPP7 | |
| SCHEMBL28956884 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL7602448 | 0.88 | — | — | |
| Methane SCHEMBL27880200 | 0.88 | — | — | |
| SCHEMBL22029349 | 0.82 | ALDH1A1 (0.48) | EPHX2DPP4DPP7CYP3A4MEN1 | |
| SCHEMBL28734872 | 0.82 | ALDH1A1 (0.48) | EPHX2DPP4DPP7CYP3A4MEN1 | |
| SCHEMBL11819362 | 0.82 | ITGB3 (0.38) | DPP4ITGB3ITGA2BMETAP1DPP7 |
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-1102789-A1 | MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM | Menarini Ricerche S.p.A. (IT) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008046-A1 | MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM | MENARINI RICERCHE S.P.A. (IT) | 2000-02-17 | — | — | WO | disclosed |