Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.51 |
| ▸ | CA9 | Q16790 | 7/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 5/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13564928 | 1.00 | CA12 (0.51) | CA12CA9CA4ALDH1A1KDM4E | |
| SCHEMBL11941123 | 0.87 | CA12 (0.50) | CA12CA9CA4ALDH1A1KDM4E | |
| SCHEMBL24589528 | 0.87 | CA12 (0.65) | CA12CA9CA4ALDH1A1KDM4E | |
| SCHEMBL11935351 | 0.87 | CA12 (0.50) | CA12CA9CA4ALDH1A1KDM4E | |
| SCHEMBL13565122 | 0.82 | MEN1 (0.43) | ALDH1A1KDM4EGAASMN1; SMN2PKM | |
| SCHEMBL13565810 | 0.82 | MEN1 (0.43) | ALDH1A1KDM4EGAASMN1; SMN2PKM | |
| SCHEMBL11936274 | 0.82 | CNR2 (0.36) | ERAP1NPC1RAB9A | |
| SCHEMBL10113096 | 0.82 | KDM4E (0.70) | CA12CA9ALDH1A1KDM4EGAA | |
| SCHEMBL13203715 | 0.82 | KDM4E (0.70) | CA12CA9ALDH1A1KDM4EGAA | |
| SCHEMBL11934761 | 0.81 | CA12 (0.58) | CA12CA9CA4ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |