Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866652 | 0.90 | SUV39H2 (0.45) | ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1 | |
| SCHEMBL8866347 | 0.88 | RAB9A (0.46) | ALDH1A1SMN1; SMN2HPGDMAPK1RAB9A | |
| SCHEMBL8867143 | 0.84 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HPGDMAPK1RAB9A | |
| SCHEMBL184424 | 0.78 | ANPEP (0.51) | ALDH1A1SMN1; SMN2HPGDMAPK1KDM4E | |
| SCHEMBL2570186 | 0.77 | LMNA (0.49) | SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL8866417 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDMAPK1RAB9A | |
| SCHEMBL8867571 | 0.76 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E | |
| SCHEMBL8866307 | 0.76 | SUV39H2 (0.46) | ALDH1A1RAB9AKDM4ENPC1POLB | |
| SCHEMBL8866648 | 0.73 | NR4A2 (0.42) | ALDH1A1SMN1; SMN2HPGDMAPK1RAB9A | |
| SCHEMBL18544548 | 0.73 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDMAPK1RAB9A |
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 |