Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | MC4R | P32245 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | MC3R | P41968 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29651938 | 0.93 | KDM4E (0.57) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| SCHEMBL108950 | 0.93 | KDM4E (0.57) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL29070148 | 0.91 | KDM4E (0.55) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27902568 | 0.91 | KDM4E (0.55) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30529579 | 0.91 | KDM4E (0.55) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL31010384 | 0.81 | KDM4E (0.50) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| Dimethylamine SCHEMBL4392114 | 0.79 | KDM4E (0.50) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| SCHEMBL16328267 | 0.78 | KDM4E (0.53) | RAB9AKDM4ENAPRTHCAR2SMN1; SMN2 | |
| SCHEMBL1505691 | 0.77 | KDM4E (0.57) | RAB9AKDM4ENAPRTHCAR2GAA | |
| SCHEMBL875263 | 0.77 | KDM4E (0.61) | KDM4ENAPRTHCAR2SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1107967-A2 | TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION | MERCK SHARP & DOHME LTD. (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012505-A2 | TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |