Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGDS | O60760 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8867199 | 0.91 | ALDH1A1 (0.44) | RAB9ANPC1MAPTHPGDSALDH1A1 | |
| SCHEMBL8867143 | 0.90 | ALDH1A1 (0.41) | NR4A2RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL8866347 | 0.84 | RAB9A (0.46) | NR4A2RAB9ANPC1MAPTHPGDS | |
| SCHEMBL8866633 | 0.81 | NR4A2 (0.43) | NR4A2RAB9ANPC1MAPTHPGDS | |
| SCHEMBL8866307 | 0.81 | SUV39H2 (0.46) | RAB9ANPC1MAPTALDH1A1KDM4E | |
| SCHEMBL8866724 | 0.76 | WDR5 (0.42) | P2RY12WDR5 | |
| SCHEMBL8867134 | 0.76 | SUV39H2 (0.45) | ALDH1A1SMN1; SMN2HPGDGFERMAPK1 | |
| SCHEMBL8867571 | 0.75 | ALDH1A1 (0.49) | RAB9ANPC1MAPTHPGDSALDH1A1 | |
| SCHEMBL8866827 | 0.75 | WDR5 (0.41) | P2RY12WDR5 | |
| SCHEMBL8866496 | 0.74 | ALDH1A1 (0.52) | RAB9ANPC1MAPTHPGDSALDH1A1 |
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 |