Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PARG | Q86W56 | 1/20 | 0.49 |
| ▸ | AGER | Q15109 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9378270 | 0.83 | KDM4E (0.56) | CYP1A2MEN1KMT2ATSHRLMNA | |
| SCHEMBL5286253 | 0.77 | CYP1A2 (0.62) | CYP1A2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL9380812 | 0.76 | ADORA3 (0.53) | CYP1A2L3MBTL1ADORA3 | |
| SCHEMBL24665898 | 0.76 | CYP1A2 (0.61) | CYP1A2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL10807639 | 0.76 | CYP1A2 (0.61) | CYP1A2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL22899000 | 0.74 | ADORA2B (0.49) | CYP1A2PARGADORA3 | |
| SCHEMBL22899003 | 0.74 | ADORA2B (0.49) | CYP1A2PARGADORA3 | |
| SCHEMBL6955745 | 0.74 | CYP1A2 (0.59) | CYP1A2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL11098187 | 0.74 | CYP1A2 (0.59) | CYP1A2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL16822023 | 0.74 | CYP1A2 (0.59) | CYP1A2ALDH1A1MEN1KMT2ATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0320992-B1 | Triazolodiazepine derivatives | HOFFMANN LA ROCHE (CH) | 1994-07-27 | — | — | EP | disclosed |
| US-4959361-A | Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists | HOFFMANN-LA ROCHE INC. (US) | 1990-09-25 | — | — | US | disclosed |
| EP-0320992-A2 | Triazolodiazepine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-06-21 | — | — | EP | disclosed |