Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11621660 | 0.85 | ABCB11 (0.46) | ALDH1A1KDM4EMAPTABCB11ADORA3 | |
| SCHEMBL11617731 | 0.83 | ABCB11 (0.61) | ALDH1A1KDM4EMAPTTP53USP2 | |
| SCHEMBL15078791 | 0.82 | CYP2D6 (0.60) | ALDH1A1KDM4EMAPTABCB11ADORA3 | |
| SCHEMBL11616677 | 0.82 | ALOX15 (0.51) | ALDH1A1KDM4EMAPTTP53USP2 | |
| SCHEMBL11622953 | 0.80 | MEP1B (0.40) | ALDH1A1KDM4EMAPTTP53MAPK1 | |
| Hydrochloric Acid SCHEMBL11619296 | 0.79 | POLB (0.41) | ALDH1A1KDM4EMAPTTP53MAPK1 | |
| SCHEMBL11619567 | 0.79 | CYP2D6 (0.56) | ALDH1A1KDM4EMAPTABCB11ADORA3 | |
| SCHEMBL11624639 | 0.78 | ABCB11 (0.43) | ALDH1A1KDM4EMAPTUSP2HSD17B10 | |
| SCHEMBL11616070 | 0.77 | CYP2D6 (0.52) | ALDH1A1KDM4EMAPTABCB11ADORA3 | |
| SCHEMBL11617394 | 0.75 | ALOX15 (0.55) | ALDH1A1KDM4ETP53MAPK1ABCB11 |
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-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-4006246-A | ANTIULCER, SECRETOLYTIC, ANTITUSSIVE, STIMULANT | BOEHRINGER INGELHEIM GMBH (DT) | 1977-02-01 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |