Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12292471 | 1.00 | CYP2C9 (0.48) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL12292862 | 0.96 | CYP2C9 (0.47) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL2370993 | 0.96 | CYP2C9 (0.47) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL12294065 | 0.96 | CYP2C9 (0.47) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL2370992 | 0.96 | CYP2C9 (0.47) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL12293115 | 0.89 | CYP2C9 (0.44) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL15491433 | 0.87 | MEN1 (0.41) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL17576166 | 0.87 | TP53 (0.41) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL9869802 | 0.85 | CYP2C9 (0.66) | CYP2C9TP53MEN1MAPTKMT2A | |
| SCHEMBL15491442 | 0.85 | CYP2C9 (0.66) | CYP2C9TP53MEN1MAPTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1102749-B1 | METHOD FOR PRODUCING 2-HALOGEN NICOTINIC ACID DERIVATIVES AND 2-CHLORONICOTINIC ACID-N-BUTYL ESTERS AS INTERMEDIATE PRODUCTS | BASF AG (DE) | 2007-10-31 | — | — | EP | disclosed |
| EP-1102749-A1 | METHOD FOR PRODUCING 2-HALOGEN NICOTINIC ACID DERIVATIVES AND 2-CHLORONICOTINIC ACID-N-BUTYL ESTERS AS INTERMEDIATE PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000007989-A1 | METHOD FOR PRODUCING 2-HALOGEN NICOTINIC ACID DERIVATIVES AND 2-CHLORONICOTINIC ACID-N-BUTYL ESTERS AS INTERMEDIATE PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-17 | — | — | WO | disclosed |