Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | YAP1 | P46937 | 3/20 | 0.32 |
| ▸ | TEAD4 | Q15561 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GPX4 | P36969 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11837217 | 0.91 | ALDH1A1 (0.52) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL16083089 | 0.80 | ALDH1A1 (0.50) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL18956020 | 0.78 | ALDH1A1 (0.48) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL8903826 | 0.78 | ALDH1A1 (0.45) | ALDH1A1POLBSMN1; SMN2ALOX15 | |
| SCHEMBL8904306 | 0.78 | ALDH1A1 (0.47) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL20547329 | 0.77 | ALDH1A1 (0.50) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL4358649 | 0.75 | ALOX15 (0.56) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL24414321 | 0.75 | ALDH1A1 (0.48) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL4438715 | 0.74 | ALDH1A1 (0.53) | ALDH1A1POLBHTTSMN1; SMN2LMNA | |
| SCHEMBL16083080 | 0.73 | ALDH1A1 (0.47) | ALDH1A1POLBHTTSMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618808-A | Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists | PFIZER, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0648213-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994001421-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1994-01-20 | — | — | WO | disclosed |