Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL7668322 | 0.85 | PTGS2 (0.35) | KDRNLRP3PTGS2MAPTRAB9A | |
| SCHEMBL25297939 | 0.80 | ELANE (0.30) | — | |
| SCHEMBL8535309 | 0.73 | PBRM1 (0.35) | PKM | |
| SCHEMBL6648136 | 0.72 | F11 (0.38) | — | |
| SCHEMBL25250183 | 0.70 | — | — | |
| SCHEMBL6912442 | 0.69 | L3MBTL3 (0.31) | — | |
| SCHEMBL3697020 | 0.68 | — | — | |
| SCHEMBL1710446 | 0.67 | MGLL (0.35) | — | |
| SCHEMBL26103771 | 0.67 | MGLL (0.35) | — | |
| SCHEMBL26103737 | 0.67 | MGLL (0.35) | — |
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-6500962-B1 | SINGLE STEP CATALYZED CYCLIZATION OF AN ALENE COMPOUND HAVING AN ALDEHYDE OR KETONE GROUP WITH CARBON MONOXIDE; HIGHER YIELD; LOWER COST | SUNGKYUNKWAN UNIVERSITY (KR) | 2002-12-31 | — | — | US | disclosed |