Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7959681 | 0.83 | CCKBR (0.35) | CYP3A4 | |
| SCHEMBL6176995 | 0.82 | TSHR (0.40) | TSHRMAPTALDH1A1AADATTHRB | |
| SCHEMBL6178413 | 0.80 | ALDH1A1 (0.40) | TSHRHTTNPSR1HPGDALDH1A1 | |
| SCHEMBL6209886 | 0.80 | TSHR (0.35) | TSHRALDH1A1AADATCYP1A2CYP2D6 | |
| SCHEMBL6178856 | 0.77 | CCKBR (0.52) | — | |
| SCHEMBL6180213 | 0.76 | TSHR (0.38) | TSHRMAPTALDH1A1THRBLMNA | |
| SCHEMBL6180301 | 0.76 | CCKBR (0.47) | MAPTLMNATP53KMT2A | |
| SCHEMBL6178279 | 0.72 | CYP3A4 (0.37) | TSHRMAPTALDH1A1AADATCYP1A2 | |
| SCHEMBL6177133 | 0.71 | TSHR (0.41) | TSHRMAPTALDH1A1THRBLMNA | |
| SCHEMBL6179979 | 0.71 | ALDH1A1 (0.44) | ALDH1A1THRBMEN1KMT2A |
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 |