Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | NSD2 | O96028 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7763378 | 0.81 | HSD17B10 (0.47) | CA1CA2ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL7764777 | 0.81 | ALDH1A1 (0.54) | CA1CA2ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL1259865 | 0.72 | — | — | |
| SCHEMBL1259117 | 0.72 | — | — | |
| SCHEMBL2213971 | 0.71 | ALDH1A1 (0.46) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL4141702 | 0.71 | — | — | |
| SCHEMBL11688163 | 0.71 | CA1 (0.69) | CA1CA2GAAKMT2APOLB | |
| SCHEMBL1258251 | 0.70 | GAA (0.56) | ALDH1A1KDM4EGAAMAPTPOLB | |
| SCHEMBL5760699 | 0.70 | ALDH1A1 (0.49) | CA1CA2ALDH1A1KDM4EGAA | |
| SCHEMBL22057883 | 0.69 | GLA (0.50) | CA1CA2ALDH1A1KDM4EKMT2A |
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 |