Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1134094 | 0.83 | — | — | |
| Furan SCHEMBL27965211 | 0.77 | HPGD (0.36) | HPGDALOX15SMN1; SMN2NPC1CYP1A2 | |
| Pyridazine SCHEMBL27835452 | 0.73 | APLNR (0.38) | NPC1RAB9AP2RX7CA12CA1 | |
| Pyridazine SCHEMBL27711578 | 0.69 | P2RX7 (0.43) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Pyridazine SCHEMBL27723556 | 0.68 | SMN1; SMN2 (0.35) | SMN1; SMN2CA12CA14ALDH1A1 | |
| SCHEMBL28257017 | 0.68 | KDM4E (0.39) | SMN1; SMN2HDAC1HDAC2TSHRKDM4E | |
| SCHEMBL11428405 | 0.68 | — | — | |
| SCHEMBL13738164 | 0.68 | — | — | |
| SCHEMBL441968 | 0.65 | TSHR (0.46) | HPGDALOX15SMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL10592352 | 0.64 | HCAR2 (0.53) | CYP2C9HTTKDM4EALDH1A1 |
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-110088101-A | A kind of nitrogen-containing hetero cyclics, preparation method, pharmaceutical composition and application | 罗欣药业(上海)有限公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-108069959-A | A kind of nitrogen-containing hetero cyclics, its preparation method, pharmaceutical composition and application | 凯惠科技发展(上海)有限公司 | 2018-05-25 | — | — | CN | disclosed |