Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | SUCNR1 | Q9BXA5 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 6/20 | 0.36 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.35 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.34 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.34 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866555 | 0.94 | SLC7A5 (0.38) | SLC7A5SUCNR1TP53SMN1; SMN2KDM4E | |
| SCHEMBL8866635 | 0.92 | ALDH1A2 (0.42) | SUCNR1CYP3A4BRD4ALDH1A2ALDH1A1 | |
| SCHEMBL9235965 | 0.85 | ACACB (0.37) | SUCNR1TP53SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL8866712 | 0.83 | CYP3A4 (0.46) | TP53SMN1; SMN2CYP3A4KDM4ENPC1 | |
| SCHEMBL8866560 | 0.78 | KDM4E (0.41) | SUCNR1TP53SMN1; SMN2CYP3A4KDM4E | |
| SCHEMBL8866523 | 0.77 | RAB9A (0.43) | SUCNR1TP53SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL8866641 | 0.75 | CYP3A4 (0.47) | SUCNR1CYP3A4KDM4ENPC1RAB9A | |
| SCHEMBL8866395 | 0.73 | RAB9A (0.43) | SLC7A5TP53SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL8866619 | 0.73 | ADORA3 (0.39) | TP53SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL8866565 | 0.71 | KDM4E (0.40) | SLC7A5TP53SMN1; SMN2KDM4ENPC1 |
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 1 patent. 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 |