Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.63 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11617134 | 0.81 | ALOX15 (0.49) | ALOX15SLC2A1CXCR4HDAC1PABPC1 | |
| SCHEMBL15321096 | 0.78 | ALOX15 (1.00) | ALOX15CXCR4MAPK14KDM4EGAA | |
| SCHEMBL11620120 | 0.72 | LMNA (0.45) | ALOX15SLC2A1HDAC1KDM4EGAA | |
| SCHEMBL11619594 | 0.72 | SLC2A1 (0.51) | ALOX15SLC2A1HDAC1PABPC1MEN1 | |
| SCHEMBL11621616 | 0.71 | ALOX15 (0.51) | ALOX15MEN1KMT2AKDM4ETDP1 | |
| SCHEMBL13702363 | 0.71 | RAB9A (0.68) | ALOX15KDM4EHTTNPC1RAB9A | |
| SCHEMBL16579938 | 0.71 | ALOX15 (0.75) | ALOX15CXCR4MAPK14NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11619519 | 0.71 | CYP3A4 (0.49) | ALOX15SLC2A1HDAC1PABPC1KDM4E | |
| Hydrochloric Acid SCHEMBL27687311 | 0.71 | ALOX15 (0.56) | ALOX15HDAC1MAPK14KDM4EGAA | |
| Hydrochloric Acid SCHEMBL2952907 | 0.71 | ALOX15 (0.56) | ALOX15HDAC1MAPK14KDM4EGAA |
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-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |