Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.30 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9465935 | 0.78 | NPC1 (0.37) | PTGS1PTGS2ALDH1A1MAPTPGR | |
| SCHEMBL9466565 | 0.76 | SNCA (0.39) | ALDH1A1MEN1KMT2AMAPTL3MBTL1 | |
| SCHEMBL9465562 | 0.67 | CYP2A6 (0.39) | CYP2A6ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL3516703 | 0.66 | CYP1A2 (0.39) | CYP2A6L3MBTL1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL9465121 | 0.63 | HCAR2 (0.33) | — | |
| SCHEMBL144429 | 0.63 | CYP2A6 (0.45) | CYP2A6HSD17B1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL9465496 | 0.63 | HDAC8 (0.39) | — | |
| SCHEMBL9466192 | 0.61 | ALDH1A1 (0.36) | ALDH1A1MAPTGAAHPGD | |
| SCHEMBL293609 | 0.61 | CYP2A6 (0.41) | CYP2A6ALDH1A1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL9465604 | 0.61 | NPC1 (0.48) | HSD17B1ALDH1A1HSD17B2KMT2AMAPT |
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-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |