Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117012 | 0.80 | NAPRT (0.55) | NAPRTKDM4EHPGDCHRM1NAMPT | |
| SCHEMBL368482 | 0.80 | PKM (0.44) | HPGDPOLBTSHRCA1CA2 | |
| SCHEMBL28220979 | 0.72 | NAPRT (0.42) | NAPRTKDM4EHPGDNAMPT | |
| SCHEMBL5609530 | 0.71 | NAPRT (0.53) | NAPRTNAMPTCA12CA1CA2 | |
| SCHEMBL31404866 | 0.71 | NAPRT (0.68) | NAPRTKDM4ENAMPTCA12CA1 | |
| SCHEMBL9232776 | 0.71 | NAPRT (0.68) | NAPRTKDM4ENAMPTCA12CA1 | |
| SCHEMBL1892163 | 0.70 | CA1 (0.59) | POLBTSHRCA12CA1CA2 | |
| SCHEMBL28157679 | 0.70 | NAPRT (0.44) | NAPRTKDM4EHPGDCHRM1NAMPT | |
| SCHEMBL5610585 | 0.69 | NAPRT (0.50) | NAPRTNAMPTCA12CA1CA2 | |
| SCHEMBL21219238 | 0.69 | HTR6 (0.44) | NAPRTKDM4EHPGDNAMPTTSHR |
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-109843869-B | 1- [ (pyridin-3-yl-sulfonyl) -1H-pyrrol-3-yl ] methylamine derivatives, pharmaceutical compositions and uses thereof | 江苏吉贝尔药业股份有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-109843869-B | 1- [ (pyridin-3-yl-sulfonyl) -1H-pyrrol-3-yl ] methylamine derivatives, pharmaceutical compositions and uses thereof | 江苏吉贝尔药业股份有限公司 | 2021-07-16 | — | — | CN | disclosed |