Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7764777 | 0.83 | ALDH1A1 (0.54) | CA1CA2ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL7764241 | 0.81 | CA1 (0.39) | CA1CA2ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL3668924 | 0.81 | MAPT (0.46) | HSD17B10ALDH1A1KDM4E | |
| SCHEMBL8742068 | 0.81 | MAPT (0.46) | HSD17B10ALDH1A1KDM4E | |
| SCHEMBL16879998 | 0.81 | KDM4E (0.47) | HSD17B10ALDH1A1KMT2AKDM4E | |
| Tetraxetan SCHEMBL18018 | 0.81 | HSD17B10 (0.64) | HSD17B10ALDH1A1SLC6A9S1PR1KDM4E | |
| Tetraxetan SCHEMBL2635294 | 0.81 | HSD17B10 (0.64) | HSD17B10ALDH1A1SLC6A9S1PR1KDM4E | |
| SCHEMBL6848102 | 0.81 | HSD17B10 (0.64) | HSD17B10ALDH1A1SLC6A9S1PR1KDM4E | |
| SCHEMBL321989 | 0.81 | HSD17B10 (0.64) | HSD17B10ALDH1A1SLC6A9S1PR1KDM4E | |
| Tetraxetan SCHEMBL2017956 | 0.81 | HSD17B10 (0.64) | HSD17B10ALDH1A1SLC6A9S1PR1KDM4E |
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 |