Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 7/20 | 0.33 |
| ▸ | KDM1A | O60341 | 6/20 | 0.33 |
| ▸ | MAOA | P21397 | 6/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15345381 | 0.77 | HTR2A (0.37) | NPSR1TSHRALDH1A1LMNAKMT2A | |
| SCHEMBL159193 | 0.77 | HSD11B1 (0.36) | KMT2AMAOBMAOACYP3A4CYP2D6 | |
| SCHEMBL1725344 | 0.75 | PARP1 (0.36) | MAOBKDM1ACA1CA2PARP1 | |
| SCHEMBL7882155 | 0.75 | PARP1 (0.36) | MAOBCA1CA2PARP1GAA | |
| SCHEMBL8351271 | 0.72 | PARP1 (0.34) | CA1CA2PARP1 | |
| SCHEMBL31520302 | 0.71 | PARP1 (0.36) | MAOBCA1CA2PARP1GAA | |
| SCHEMBL1697644 | 0.71 | PARP1 (0.36) | ALDH1A1KMT2AMAOBCA1CA2 | |
| SCHEMBL258234 | 0.71 | PARP1 (0.36) | MAOBCA1CA2PARP1GAA | |
| SCHEMBL27662525 | 0.70 | — | — | |
| SCHEMBL14495435 | 0.70 | BRD4 (0.33) | CA1CA2PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861098-A | Synthetic method of indole derivative | 太原理工大学 | 2021-12-31 | — | — | CN | disclosed |