Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.50 |
| ▸ | NAMPT | P43490 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.50 |
| ▸ | HRH2 | P25021 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR1E | P28566 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30422177 | 0.89 | TMEM97 (0.55) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL28506393 | 0.89 | DHFR (0.57) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL26092475 | 0.88 | MEN1 (0.55) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL324086 | 0.84 | TMEM97 (0.64) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL1328894 | 0.83 | DPP8 (0.57) | NAMPTHRH1DPP8DPP9 | |
| SCHEMBL29909711 | 0.82 | NAMPT (0.49) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL26607719 | 0.80 | ABHD6 (0.55) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL29972661 | 0.80 | ABHD6 (0.55) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL21800290 | 0.80 | ABHD6 (0.55) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL21847647 | 0.79 | NAMPT (0.45) | SMN1; SMN2NPC1RAB9AGRIN2BNAMPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020227368-A1 | HSP90 INHIBITORS AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2020-11-12 | — | — | WO | disclosed |