Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 11/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3585013 | 0.75 | TP53 (0.55) | GRM5TP53 | |
| SCHEMBL29972774 | 0.75 | TP53 (0.55) | GRM5TP53 | |
| SCHEMBL4699461 | 0.73 | GRM5 (0.73) | GRM5 | |
| SCHEMBL9542013 | 0.72 | TSHR (0.46) | TP53ALDH1A1 | |
| SCHEMBL6669232 | 0.72 | GRM5 (0.69) | GRM5 | |
| SCHEMBL6175160 | 0.72 | MGLL (0.49) | ALDH1A1 | |
| SCHEMBL5579857 | 0.70 | HDAC6 (0.58) | GRM5HDAC6ALDH1A1 | |
| SCHEMBL3585009 | 0.68 | TP53 (0.55) | GRM5TP53ALDH1A1 | |
| SCHEMBL14350435 | 0.68 | HDAC6 (0.53) | GRM5HDAC6TP53 | |
| SCHEMBL27916227 | 0.68 | KDM4E (0.50) | TP53ALDH1A1 |
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-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |