Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL6180722 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6175739 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6209886 | 0.83 | TSHR (0.35) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6176995 | 0.83 | TSHR (0.40) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7962064 | 0.83 | CCKBR (0.36) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7950890 | 0.81 | HTT (0.38) | ALDH1A1TSHRSMN1; SMN2MAPK1KMT2A | |
| SCHEMBL6176322 | 0.81 | TSHR (0.43) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6177943 | 0.80 | TSHR (0.34) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6176746 | 0.78 | CCKBR (0.52) | — | |
| SCHEMBL6177998 | 0.77 | CCKBR (0.47) | MAPK1KMT2ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |