Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6181619 | 1.00 | ALDH1A1 (0.39) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL29220053 | 1.00 | ALDH1A1 (0.39) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL3794167 | 0.97 | ALDH1A1 (0.41) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL3795768 | 0.92 | THRB (0.39) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL5337 | 0.92 | — | — | |
| SCHEMBL28523432 | 0.87 | THRB (0.38) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL5334 | 0.85 | — | — | |
| SCHEMBL2515640 | 0.85 | ALDH1A1 (0.50) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL2518449 | 0.85 | ALDH1A1 (0.50) | ALDH1A1THRBHTTMEN1KMT2A | |
| SCHEMBL2355450 | 0.85 | ALDH1A1 (0.50) | ALDH1A1THRBHTTMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1103547-B1 | FORMAZAN METAL COMPLEX | HAYASHIBARA BIOCHEM LAB (JP) | 2006-07-12 | — | — | EP | disclosed |
| EP-0945445-B9 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2005-12-28 | — | — | EP | disclosed |
| EP-0945445-B1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2003-09-03 | — | — | EP | disclosed |
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-0945445-A1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |