Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | GCGR | P47871 | 11/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.45 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.43 |
| ▸ | GIPR | P48546 | 4/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | NME4 | O00746 | 1/20 | 0.41 |
| ▸ | GCDH | Q92947 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866558 | 0.94 | SUV39H2 (0.47) | S1PR1GCGRCHRM4SUV39H2GIPR | |
| Trifluoroacetic Acid SCHEMBL8867240 | 0.85 | CHRM4 (0.45) | S1PR1GCGRCHRM4SUV39H2GIPR | |
| Trifluoroacetic Acid SCHEMBL8866439 | 0.85 | LOXL2 (0.48) | S1PR1CHRM4SUV39H2LOXL2FFAR1 | |
| SCHEMBL8866671 | 0.85 | GFER (0.48) | S1PR1GCGRCHRM4SUV39H2LOXL2 | |
| Trifluoroacetic Acid SCHEMBL9289264 | 0.81 | ALDH1A1 (0.47) | GCGRGIPRNME4GCDHSIRT5 | |
| SCHEMBL8867799 | 0.80 | ALDH1A1 (0.50) | GCGRGIPRLOXL2NME4GCDH | |
| SCHEMBL9237794 | 0.80 | F10 (0.46) | CHRM4SUV39H2NME4GCDHSIRT5 | |
| Trifluoroacetic Acid SCHEMBL8867446 | 0.79 | ALDH1A1 (0.47) | GCGRGIPRNME4GCDHSIRT5 | |
| SCHEMBL8866401 | 0.78 | CHRM4 (0.46) | CHRM4SUV39H2NME4GCDHSIRT5 | |
| SCHEMBL8867456 | 0.78 | CHRM4 (0.46) | GCGRCHRM4SUV39H2NME4GCDH |
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 |