Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866875 | 0.91 | ALDH1A1 (0.43) | KDM4ERAB9ANPC1BRD9ALDH1A1 | |
| SCHEMBL8866739 | 0.84 | SMN1; SMN2 (0.45) | KDM4ERAB9ANPC1SMN1; SMN2TP53 | |
| Bromide SCHEMBL8866251 | 0.83 | SMN1; SMN2 (0.45) | KDM4ERAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL8867134 | 0.79 | SUV39H2 (0.45) | SMN1; SMN2ALDH1A1GFERHPGDMAPK1 | |
| SCHEMBL8866808 | 0.78 | SUCNR1 (0.41) | KDM4ERAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL8866633 | 0.78 | NR4A2 (0.43) | KDM4ERAB9ANPC1SMN1; SMN2ACACB | |
| SCHEMBL9235965 | 0.77 | ACACB (0.37) | KDM4ERAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL8867105 | 0.76 | ALDH1A1 (0.52) | KDM4ERAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL8865927 | 0.75 | DHODH (0.43) | KDM4ERAB9ANPC1POLBALDH1A1 | |
| Bromide SCHEMBL8866415 | 0.75 | ALDH1A1 (0.51) | KDM4ERAB9ANPC1SMN1; SMN2TP53 |
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 |