Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 4/20 | 0.47 |
| ▸ | CSK | P41240 | 3/20 | 0.47 |
| ▸ | ZAP70 | P43403 | 3/20 | 0.47 |
| ▸ | EPHB3 | P54753 | 3/20 | 0.46 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4765208 | 0.94 | ALDH1A1 (0.48) | ALDH1A1KDM4ENPC1RAB9ATP53 | |
| SCHEMBL4767953 | 0.85 | NPC1 (0.56) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4765267 | 0.81 | MEN1 (0.58) | ALDH1A1TP53SMN1; SMN2MAPTGAA | |
| Hydrochloric Acid SCHEMBL4767939 | 0.80 | MEN1 (0.57) | ALDH1A1TP53SMN1; SMN2MAPTGAA | |
| SCHEMBL4774462 | 0.79 | RAB9A (0.59) | NPC1RAB9ASMN1; SMN2HPGDMEN1 | |
| SCHEMBL4770555 | 0.79 | NPC1 (0.51) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4765359 | 0.79 | NPC1 (0.44) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4772031 | 0.78 | NPC1 (0.43) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4768367 | 0.78 | NPC1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL4765960 | 0.77 | NR1H4 (0.52) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 |
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-1713778-B1 | BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS | GLAXO GROUP LTD (GB) | 2008-01-16 | — | — | EP | claimed |