Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.57 |
| ▸ | ABAT | P80404 | 1/20 | 0.57 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.57 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2924523 | 0.84 | ALDH3A1 (0.62) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL6355056 | 0.83 | ALDH5A1 (0.57) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL14548858 | 0.83 | ALDH5A1 (0.57) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL4575571 | 0.83 | ALDH5A1 (0.62) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL27780985 | 0.81 | ALDH5A1 (0.56) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL31442858 | 0.81 | ALDH5A1 (0.55) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL5981396 | 0.81 | ALDH5A1 (0.55) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL6045765 | 0.80 | ALDH5A1 (0.54) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL13269178 | 0.79 | ALDH5A1 (0.53) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 | |
| SCHEMBL27675203 | 0.79 | ALDH3A1 (0.57) | ALDH5A1ABATVCAM1ALDH3A1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023102255-A1 | PEPTIDE-ENCODED LIBRARIES OF SMALL MOLECULES FOR DE NOVO DRUG DISCOVERY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2023-06-08 | — | — | WO | claimed |
| WO-2023102255-A1 | PEPTIDE-ENCODED LIBRARIES OF SMALL MOLECULES FOR DE NOVO DRUG DISCOVERY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2023-06-08 | — | — | WO | disclosed |
| EP-0548217-B1 | PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES | BUCHARDT OLE (DK) | 1997-04-09 | — | — | EP | disclosed |
| US-5580751-A | REACTING A PEPTIDE WITH A NUCLEOPHILIC AMINE IN THE PRESENCE OF TRYPSIN OR A CARBOXYPEPIDASE; NONENZYMATICALLY CLEAVING TO FORM THE PRODUCT | CARLSBERG A/S (DK) | 1996-12-03 | — | — | US | disclosed |
| EP-0548217-A1 | PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES. | BUCHARDT OLE (DK) | 1993-06-30 | — | — | EP | disclosed |
| WO-1992005271-A1 | PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES | BUCHARDT OLE (DK) | 1992-04-02 | — | — | WO | disclosed |