Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6679486 | 0.98 | HCAR2 (0.49) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL11850409 | 0.86 | LMNA (0.58) | TDP1NPC1RAB9ASMN1; SMN2AKR1B10 | |
| SCHEMBL8768547 | 0.81 | HCAR2 (0.52) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL18395056 | 0.79 | NAAA (0.50) | TDP1L3MBTL1SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL7936383 | 0.79 | CA12 (0.59) | HCAR2TDP1L3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3486307 | 0.78 | HCAR2 (0.58) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL8328846 | 0.78 | HCAR2 (0.49) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL6049237 | 0.78 | LMNA (0.52) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL11686215 | 0.78 | HCAR2 (0.49) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL1478220 | 0.77 | CA12 (0.61) | HCAR2TDP1L3MBTL1SMN1; SMN2ALDH1A1 |
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-6153705-A | CHAIN-END FUNCTIONALIZED BY ALKYL XANTHATES. | RHODIA CHIMIE (FR) | 2000-11-28 | — | — | US | disclosed |