Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALPL | P05186 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL28123462 | 0.87 | ALPL (0.45) | NPC1RAB9ASMN1; SMN2ALPLMAPT | |
| SCHEMBL28013862 | 0.87 | CA12 (0.43) | NPC1RAB9ASMN1; SMN2ALPLMAPT | |
| SCHEMBL28013858 | 0.86 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2ALPLMAPT | |
| SCHEMBL28013860 | 0.76 | SMN1; SMN2 (0.49) | NPC1RAB9ASMN1; SMN2ALPLMAPT | |
| SCHEMBL28268579 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL21198241 | 0.74 | SMN1; SMN2 (0.66) | NPC1RAB9ASMN1; SMN2ALPLMAPT | |
| SCHEMBL28013861 | 0.73 | ALPL (0.40) | NPC1RAB9AALPLMAPTCYP1A2 | |
| SCHEMBL28025275 | 0.73 | IKBKB (0.38) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL28024810 | 0.73 | MAPT (0.35) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL27993408 | 0.72 | HCAR2 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | claimed |
| CN-104592116-A | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | UNIV SHANDONG | 2015-05-06 | — | — | CN | claimed |
| CN-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-104592116-A | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | UNIV SHANDONG | 2015-05-06 | — | — | CN | disclosed |