Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6177943 | 0.86 | TSHR (0.34) | HTTALDH1A1KDM4ETSHRUSP2 | |
| SCHEMBL6176995 | 0.83 | TSHR (0.40) | ALDH1A1TSHRMAPK1RECQLAADAT | |
| SCHEMBL6181983 | 0.83 | CCKBR (0.36) | HTTALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL6178413 | 0.81 | ALDH1A1 (0.40) | HTTALDH1A1TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL7961449 | 0.81 | HTT (0.43) | HTTALDH1A1KDM4EPOLBTSHR | |
| SCHEMBL6209886 | 0.80 | TSHR (0.35) | ALDH1A1TSHRAADAT | |
| SCHEMBL6178664 | 0.78 | CCKBR (0.52) | — | |
| SCHEMBL6180213 | 0.77 | TSHR (0.38) | ALDH1A1TSHR | |
| SCHEMBL6178953 | 0.77 | CCKBR (0.47) | KMT2A | |
| SCHEMBL6178279 | 0.73 | CYP3A4 (0.37) | ALDH1A1TSHRL3MBTL1KMT2AAADAT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |