Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Morpholine SCHEMBL8068472 | 0.90 | PKM (0.46) | PKML3MBTL1POLBTDP1ALDH1A1 | |
| Diethylamine SCHEMBL8068847 | 0.85 | PKM (0.52) | PKML3MBTL1POLBTDP1NPSR1 | |
| SCHEMBL8059512 | 0.78 | PKM (0.50) | PKML3MBTL1POLBTDP1NPSR1 | |
| Piperidine SCHEMBL8068938 | 0.74 | TSHR (0.42) | PKML3MBTL1POLBTDP1NPSR1 | |
| SCHEMBL8070554 | 0.74 | PKM (0.46) | PKML3MBTL1POLBTDP1NPSR1 | |
| SCHEMBL8070490 | 0.73 | KDM4E (0.52) | PKMTDP1ALDH1A1P2RX4KDM4E | |
| SCHEMBL8059675 | 0.72 | PKM (0.46) | PKML3MBTL1NPSR1ALDH1A1KDM4E | |
| Piperidine SCHEMBL29224136 | 0.71 | ALDH1A1 (0.69) | ALDH1A1TSHR | |
| SCHEMBL8068473 | 0.70 | TBXAS1 (0.55) | PKMALDH1A1KDM4ELMNAHIF1A | |
| SCHEMBL8059364 | 0.69 | PKM (0.55) | PKML3MBTL1POLBTDP1ALDH1A1 |
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-6057322-A | USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-05-02 | — | — | US | disclosed |