Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.44 |
| ▸ | NME4 | O00746 | 1/20 | 0.44 |
| ▸ | GCDH | Q92947 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | GCGR | P47871 | 3/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | GIPR | P48546 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8866119 | 0.94 | S1PR1 (0.45) | SUV39H2LOXL2SIRT5NME4GCDH | |
| SCHEMBL8866671 | 0.90 | GFER (0.48) | SUV39H2LOXL2S1PR1CHRM4GCGR | |
| SCHEMBL8867799 | 0.85 | ALDH1A1 (0.50) | LOXL2SIRT5NME4GCDHGCGR | |
| SCHEMBL9237794 | 0.84 | F10 (0.46) | SUV39H2SIRT5NME4GCDHCHRM4 | |
| SCHEMBL8866401 | 0.82 | CHRM4 (0.46) | SUV39H2SIRT5NME4GCDHCHRM4 | |
| SCHEMBL8867456 | 0.82 | CHRM4 (0.46) | SUV39H2SIRT5NME4GCDHDGAT1 | |
| Hydrochloric Acid SCHEMBL8866506 | 0.81 | CHRM4 (0.44) | SUV39H2SIRT5NME4GCDHCHRM4 | |
| Trifluoroacetic Acid SCHEMBL8867240 | 0.79 | CHRM4 (0.45) | SUV39H2SIRT5NME4GCDHS1PR1 | |
| SCHEMBL8866564 | 0.78 | CHRM4 (0.46) | SUV39H2SIRT5NME4GCDHCHRM4 | |
| Trifluoroacetic Acid SCHEMBL8866439 | 0.78 | LOXL2 (0.48) | SUV39H2LOXL2S1PR1CHRM4ALDH1A1 |
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-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |