Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.45 |
| ▸ | ALDH1A2 | O94788 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 8/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8866757 | 0.89 | DHODH (0.46) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| SCHEMBL8866355 | 0.79 | ALDH1A1 (0.52) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| SCHEMBL8867323 | 0.78 | ALDH1A1 (0.53) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| Bromide SCHEMBL8866070 | 0.76 | DHODH (0.59) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| Trifluoroacetic Acid SCHEMBL8866439 | 0.76 | LOXL2 (0.48) | ALDH1A1KDM4EMEN1KMT2ANPC1 | |
| Trifluoroacetic Acid SCHEMBL8866962 | 0.75 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3ALDH1A2KDM4EMEN1 | |
| SCHEMBL8866709 | 0.74 | ALDH1A1 (0.47) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| SCHEMBL8866295 | 0.74 | DHODH (0.44) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| SCHEMBL8866540 | 0.73 | DHODH (0.66) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E | |
| Trifluoroacetic Acid SCHEMBL8866938 | 0.72 | ALDH1A1 (0.42) | DHODHALDH1A1ALDH1A3ALDH1A2KDM4E |
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 |