Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2431448 | 0.79 | SIGMAR1 (0.50) | SIGMAR1HSD11B1KMT2AALDH1A1KDM4E | |
| Methyl Alcohol SCHEMBL10623350 | 0.78 | HSD11B1 (0.64) | SIGMAR1HSD11B1KMT2AALDH1A1KDM4E | |
| SCHEMBL6932177 | 0.77 | SIGMAR1 (0.52) | SIGMAR1HSD11B1KMT2AALDH1A1TSHR | |
| SCHEMBL92506 | 0.77 | L3MBTL1 (0.63) | SIGMAR1HSD11B1ALDH1A1KDM4ETP53 | |
| SCHEMBL10586418 | 0.76 | SIGMAR1 (0.44) | SIGMAR1HSD11B1KMT2AALDH1A1KDM4E | |
| SCHEMBL9090627 | 0.76 | L3MBTL1 (0.61) | SIGMAR1HSD11B1ALDH1A1KDM4ETP53 | |
| SCHEMBL11083860 | 0.76 | FAAH (0.54) | SIGMAR1HSD11B1KMT2AALDH1A1SLC6A4 | |
| Hydrochloric Acid SCHEMBL20337874 | 0.76 | L3MBTL1 (0.61) | SIGMAR1HSD11B1KMT2AALDH1A1KDM4E | |
| SCHEMBL27460237 | 0.73 | SIGMAR1 (0.53) | SIGMAR1HSD11B1KMT2AALDH1A1KDM4E | |
| SCHEMBL27682233 | 0.73 | SIGMAR1 (0.49) | SIGMAR1HSD11B1KMT2AALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776937-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-07-07 | — | — | US | disclosed |
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |