Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28038639 | 0.88 | CYP2A6 (0.42) | CYP2A6CYP46A1MAOAMAOBMETAP1 | |
| SCHEMBL28823336 | 0.76 | SLC22A12 (0.38) | CYP2A6MAOAMAOBCYP1A2PTGS2 | |
| SCHEMBL15776911 | 0.76 | CYP2A6 (0.44) | CYP2A6CYP46A1MAOAMAOBMETAP1 | |
| SCHEMBL28038268 | 0.76 | PTGS2 (0.50) | CYP2A6LMNACYP1A2POLBPTGS2 | |
| SCHEMBL1272639 | 0.73 | CYP2A6 (0.42) | CYP2A6CYP46A1MAOAMAOBMETAP1 | |
| SCHEMBL1272845 | 0.71 | CYP2A6 (0.41) | CYP2A6CYP46A1MAOAMAOBMETAP1 | |
| SCHEMBL10205409 | 0.71 | CYP2A6 (0.48) | CYP2A6CYP46A1METAP1P4HTMKDM4E | |
| SCHEMBL1271442 | 0.71 | CYP2A6 (0.42) | CYP2A6CYP46A1MAOAMAOBMETAP1 | |
| SCHEMBL12854083 | 0.69 | KDM4E (0.50) | CYP2A6CYP46A1MAOAMAOBMETAP1 | |
| SCHEMBL1273291 | 0.69 | CYP2A6 (0.41) | CYP2A6CYP46A1MAOAMAOBMETAP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101180266-B | As the alpha ketoamide compounds of cystatin | Vero Bay (US) | 2015-11-25 | — | — | CN | disclosed |