Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CDC42 | P60953 | 1/20 | 0.56 |
| ▸ | RAC1 | P63000 | 1/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7955027 | 0.86 | ABCB11 (0.61) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL3831944 | 0.84 | ABCB11 (0.54) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL15414298 | 0.81 | CYP1A2 (0.52) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL487168 | 0.81 | ABCB11 (0.65) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL29365195 | 0.81 | ABCB11 (0.65) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL30640494 | 0.81 | ABCB11 (0.65) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL20398797 | 0.81 | ABCB11 (0.65) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL9425364 | 0.80 | CA1 (0.58) | CYP1A2TSHRMAPTTDP1L3MBTL1 | |
| SCHEMBL5504556 | 0.80 | AKR1C3 (0.53) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL1070797 | 0.79 | ABCB11 (0.58) | ABCB11AKR1C3AKR1C2PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5132466-A | PROCESS FOR PREPARING 4-(6-METHOXY-2'-NAPHTHYL)BUTANE-2-ONE | BEECHAM GROUP P.L.C. (GB) | 1992-07-21 | — | — | US | disclosed |
| US-5068458-A | Chemical process for halogenating 2-methyl-6-methoxynaphthalene | BEECHAM GROUP P.L.C. (GB) | 1991-11-26 | — | — | US | disclosed |
| EP-0415524-A1 | Process for the production of 2-halomethyl-6-methoxy naphthalene | Beecham Group p.l.c. (GB) | 1991-03-06 | — | — | EP | disclosed |