Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.51 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.51 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866523 | 0.90 | RAB9A (0.43) | ALDH1A1ALDH1A3ALDH1A2DHODHKDM4E | |
| SCHEMBL8866641 | 0.89 | CYP3A4 (0.47) | ALDH1A1ALDH1A3ALDH1A2KDM4EKMT2A | |
| SCHEMBL8866355 | 0.85 | ALDH1A1 (0.52) | ALDH1A1ALDH1A3ALDH1A2DHODHKDM4E | |
| SCHEMBL8866560 | 0.83 | KDM4E (0.41) | ALDH1A1ALDH1A3ALDH1A2KDM4ENPC1 | |
| SCHEMBL8866233 | 0.82 | ALDH1A1 (0.43) | ALDH1A1ALDH1A3ALDH1A2DHODHKDM4E | |
| SCHEMBL8866926 | 0.81 | CYP3A4 (0.47) | ALDH1A1ALDH1A3ALDH1A2DHODHKDM4E | |
| SCHEMBL8866649 | 0.81 | ALDH1A1 (0.41) | ALDH1A1ALDH1A3ALDH1A2DHODHKDM4E | |
| SCHEMBL8866712 | 0.80 | CYP3A4 (0.46) | KDM4EHDAC10HDAC6NPC1RAB9A | |
| SCHEMBL8867482 | 0.78 | SUV39H2 (0.47) | ALDH1A1ALDH1A3KDM4EKMT2ANPC1 | |
| SCHEMBL8866825 | 0.78 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3KDM4EKMT2AMEN1 |
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 |