Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8509041 | 0.94 | NQO1 (0.56) | NQO1TDP1TAAR1TSHRKIF11 | |
| SCHEMBL10961852 | 0.82 | TAAR1 (0.65) | TAAR1KIF11SMN1; SMN2CYP3A4MAPT | |
| SCHEMBL28290197 | 0.81 | NQO1 (0.54) | NQO1TDP1TSHRKIF11SMN1; SMN2 | |
| SCHEMBL13761773 | 0.81 | NQO1 (0.58) | NQO1TDP1TSHRKIF11SMN1; SMN2 | |
| SCHEMBL13211694 | 0.79 | NQO1 (0.61) | NQO1TDP1TSHRKIF11SMN1; SMN2 | |
| SCHEMBL805161 | 0.79 | NQO1 (0.61) | NQO1TDP1TSHRMAPTNPC1 | |
| SCHEMBL18417193 | 0.78 | NQO1 (0.82) | NQO1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL5833291 | 0.78 | NQO1 (0.82) | NQO1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL9155582 | 0.78 | NQO1 (0.82) | NQO1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL9074434 | 0.78 | NQO1 (0.54) | NQO1TDP1TSHRSMN1; SMN2MAPT |
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-109563103-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | claimed |
| CN-109563103-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | disclosed |