Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | FYN | P06241 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27594916 | 0.80 | HPRT1 (0.50) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL10648235 | 0.74 | HPRT1 (0.56) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL3345624 | 0.74 | CYP1A2 (0.74) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL27278968 | 0.72 | CYP1A2 (0.48) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL11695235 | 0.72 | HPRT1 (0.58) | HPRT1CYP1A2PAX8ALDH1A1HSD17B10 | |
| SCHEMBL27289927 | 0.72 | HPRT1 (0.64) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL12473664 | 0.72 | HPRT1 (0.64) | HPRT1CYP1A2FYNACHEAHR | |
| Chloromethane SCHEMBL27456884 | 0.71 | HPRT1 (0.56) | HPRT1CYP1A2NQO2PAX8TRPM4 | |
| SCHEMBL1170838 | 0.69 | CYP1A2 (0.65) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL4853263 | 0.69 | HPRT1 (0.67) | HPRT1CYP1A2FYNACHEAHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1284952-A | Carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists | BAYER AG (US) | 2001-02-21 | — | — | CN | disclosed |
| CN-1149869-A | Substituted sulfonamides as selective beta3 agonists for treatment of diabetes and obesity | MERCK & CO LTD (US) | 1997-05-14 | — | — | CN | disclosed |