Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL5236652 | 0.90 | MEN1 (0.34) | ALDH1A1MAPTADORA3USP2KDM4E | |
| SCHEMBL5228434 | 0.90 | MEN1 (0.34) | ALDH1A1MAPTADORA3USP2KDM4E | |
| SCHEMBL5236168 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MAPTUSP2KDM4EPOLB | |
| SCHEMBL5233329 | 0.83 | KMT2A (0.35) | ALDH1A1MAPTUSP2HTTL3MBTL1 | |
| SCHEMBL5233321 | 0.83 | KMT2A (0.35) | ALDH1A1MAPTUSP2HTTL3MBTL1 | |
| SCHEMBL5230228 | 0.83 | ALDH1A1 (0.39) | ALDH1A1MAPTADORA3USP2TSHR | |
| SCHEMBL5230218 | 0.83 | ALDH1A1 (0.39) | ALDH1A1MAPTADORA3USP2TSHR | |
| SCHEMBL5232360 | 0.83 | — | — | |
| SCHEMBL5232347 | 0.83 | — | — | |
| SCHEMBL5230337 | 0.83 | HPGD (0.35) | ALDH1A1USP2TSHRKDM4ENPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | claimed |