Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.55 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8900524 | 0.91 | PNMT (0.54) | SIGMAR1TMEM97DHFRADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL8176576 | 0.90 | PNMT (0.52) | SIGMAR1TMEM97DHFRADRA2AADRA2B | |
| SCHEMBL6973388 | 0.85 | TMEM97 (0.60) | SIGMAR1TMEM97HRH3DHFRADRA2A | |
| SCHEMBL9314619 | 0.85 | SIGMAR1 (0.55) | SIGMAR1TMEM97HDAC1DHFRADRA2A | |
| SCHEMBL5578131 | 0.81 | HDAC1 (0.62) | SIGMAR1TMEM97HRH3HDAC1HDAC6 | |
| SCHEMBL6966743 | 0.78 | TMEM97 (0.58) | SIGMAR1TMEM97HDAC1ADRA2AADRA2B | |
| SCHEMBL7849357 | 0.78 | SIGMAR1 (0.51) | SIGMAR1TMEM97HRH3ALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL7550246 | 0.75 | BRD4 (0.41) | SIGMAR1TMEM97HRH3HTR2BHRH1 | |
| SCHEMBL8118083 | 0.75 | ADRB3 (0.50) | HDAC1HDAC6ALDH1A1MEN1KMT2A | |
| SCHEMBL6962333 | 0.75 | TMEM97 (0.55) | SIGMAR1TMEM97HRH3ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |