Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.48 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.48 |
| ▸ | ITGAM | P11215 | 2/20 | 0.48 |
| ▸ | HPGDS | O60760 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 2/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
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 SCHEMBL8867446 | 0.96 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1POLBGAA | |
| SCHEMBL9252196 | 0.94 | ALDH1A1 (0.56) | ALDH1A1KDM4ENPC1POLBGAA | |
| Trifluoroacetic Acid SCHEMBL8866961 | 0.90 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPC1POLBGAA | |
| SCHEMBL9235389 | 0.90 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1POLBGAA | |
| Trifluoroacetic Acid SCHEMBL9289264 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1POLBGAA | |
| Trifluoroacetic Acid SCHEMBL8867240 | 0.85 | CHRM4 (0.45) | ITGB3ITGA2BITGB2ITGAMGCGR | |
| SCHEMBL9247958 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KDM4ENPC1POLBGAA | |
| SCHEMBL8866496 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPC1POLBGAA | |
| SCHEMBL8866401 | 0.81 | CHRM4 (0.46) | ALDH1A1KDM4ENPC1POLBGAA | |
| Iodide SCHEMBL9235848 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4ENPC1POLBGAA |
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 |