Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 3/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PPOX | P50336 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL69705 | 0.77 | CYP19A1 (0.45) | CYP19A1MAOBARALDH1A1MAPT | |
| SCHEMBL11709624 | 0.75 | RET (0.41) | CYP19A1MAOBARRETKDR | |
| SCHEMBL1154727 | 0.74 | CYP19A1 (0.45) | CYP19A1MAOBARALDH1A1MAPT | |
| SCHEMBL11710593 | 0.73 | POLB (0.39) | CYP19A1MAOBALDH1A1MAPTHTT | |
| Hydrochloric Acid SCHEMBL10917344 | 0.70 | METAP1 (0.49) | CYP19A1MAOBARALDH1A1MAPT | |
| SCHEMBL13538218 | 0.69 | MAOB (0.43) | CYP19A1MAOBARALDH1A1MAPT | |
| SCHEMBL68103 | 0.68 | HSD17B10 (0.47) | CYP19A1MAOBARMAPTHTT | |
| SCHEMBL68075 | 0.67 | PBRM1 (0.67) | CYP19A1MAOBARALDH1A1MAPT | |
| SCHEMBL11707788 | 0.66 | TYMS (0.47) | ALDH1A1MAPTPKMHPGDHTT | |
| SCHEMBL11382138 | 0.65 | CYP19A1 (0.50) | CYP19A1MAOBARALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4045451-A | 2-(Methylthio)naphtho[1,3-bc]pyran-3(2H)-one | WARNER-LAMBERT COMPANY (US) | 1977-08-30 | — | — | US | disclosed |
| US-4012422-A | Process for the cyclization of aryl (methylsulfinyl)-methyl ketones and novel compounds produced thereby | CONNOR DAVID T | 1977-03-15 | — | — | US | disclosed |