Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MIF | P14174 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919645 | 1.00 | CYP2A6 (0.52) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL31660831 | 0.88 | CES1 (0.50) | MAOBCYP19A1CYP11B2CYP11B1MAPT | |
| SCHEMBL9421087 | 0.84 | CYP19A1 (0.44) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL9421082 | 0.84 | CYP19A1 (0.44) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL10533603 | 0.84 | CYP19A1 (0.44) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL9421122 | 0.84 | CYP19A1 (0.44) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL5921441 | 0.81 | CYP19A1 (0.51) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL17680269 | 0.78 | CYP19A1 (0.56) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL30436320 | 0.76 | CYP2A6 (0.65) | CYP2A6MAOAMAOBCYP19A1CYP11B2 | |
| SCHEMBL9652088 | 0.76 | CYP2A6 (0.65) | CYP2A6MAOAMAOBCYP19A1CYP11B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802897-A1 | NOVEL COMPOUNDS | Smithkline Beecham S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021638-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM S.P.A. (IT) | 1996-07-18 | — | — | WO | disclosed |