Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 4/20 | 0.49 |
| ▸ | MME | P08473 | 4/20 | 0.48 |
| ▸ | CPA1 | P15085 | 3/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.47 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.45 |
| ▸ | GNPAT | O15228 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL504108 | 0.89 | ALDH1A1 (0.61) | ALDH1A1ITGB3ITGA2BCA2LMNA | |
| SCHEMBL27547070 | 0.89 | ALDH1A1 (0.61) | ALDH1A1ITGB3ITGA2BCA2LMNA | |
| SCHEMBL5996017 | 0.89 | ALDH1A1 (0.61) | ALDH1A1ITGB3ITGA2BCA2LMNA | |
| Acetyl Tyrosine SCHEMBL7688897 | 0.88 | FOLH1 (0.58) | ITGB3ITGA2BCA2LMNAACE | |
| Afalanine SCHEMBL7691017 | 0.88 | GNPAT (0.56) | ITGB3ITGA2BACEMMECPA1 | |
| SCHEMBL22503652 | 0.86 | MME (0.56) | ALDH1A1CA2ACEMMECPA1 | |
| SCHEMBL22503794 | 0.86 | MME (0.56) | ALDH1A1CA2ACEMMECPA1 | |
| SCHEMBL23030208 | 0.81 | MME (0.58) | ALDH1A1CA2ACEMMECPA1 | |
| SCHEMBL20540755 | 0.81 | MME (0.58) | ALDH1A1CA2ACEMMECPA1 | |
| SCHEMBL20540509 | 0.81 | MME (0.58) | ALDH1A1CA2ACEMMECPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002068586-A2 | HIV/FIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-09-06 | — | — | WO | claimed |
| WO-2002068586-A2 | HIV/FIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-09-06 | — | — | WO | disclosed |