Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7526500 | 0.90 | KEAP1 (0.42) | KEAP1NOTUMKMT2AMEN1NPC1 | |
| SCHEMBL5868991 | 0.88 | KEAP1 (0.37) | KEAP1NOTUMSTIM1ORAI1CYP3A4 | |
| SCHEMBL7705397 | 0.85 | KMT2A (0.40) | KEAP1NOTUMSTIM1ORAI1KMT2A | |
| SCHEMBL5868803 | 0.82 | KEAP1 (0.37) | KEAP1NOTUMCYP3A4CYP2C9NPC1 | |
| SCHEMBL5868872 | 0.80 | CYP3A4 (0.40) | KEAP1NOTUMCYP3A4KMT2AMEN1 | |
| SCHEMBL7465211 | 0.79 | GSK3B (0.40) | CYP3A4GRM5CYP2C9RAB9AKDM4E | |
| SCHEMBL5869106 | 0.78 | CYP17A1 (0.41) | KEAP1NOTUMNPC1RAB9A | |
| SCHEMBL5868820 | 0.78 | CYP17A1 (0.37) | KEAP1NOTUMCYP3A4KMT2AMEN1 | |
| SCHEMBL7704182 | 0.77 | CYP3A4 (0.35) | KEAP1NOTUMCYP3A4KMT2AMEN1 | |
| SCHEMBL6624341 | 0.77 | NOTUM (0.36) | KEAP1NOTUMCYP3A4KMT2AMEN1 |
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-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |