Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.52 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.52 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 3/20 | 0.51 |
| ▸ | MMP3 | P08254 | 2/20 | 0.51 |
| ▸ | MMP13 | P45452 | 2/20 | 0.51 |
| ▸ | MMP9 | P14780 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP7 | P09237 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPN | P05981 | 2/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3591380 | 1.00 | NPSR1 (0.57) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL7138962 | 0.88 | ALDH1A1 (0.54) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL8567090 | 0.88 | ALDH1A1 (0.54) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL7247686 | 0.87 | NPSR1 (0.53) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL2068561 | 0.86 | ALDH1A1 (0.59) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL607797 | 0.86 | ALDH1A1 (0.59) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL2068549 | 0.86 | ALDH1A1 (0.59) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL2067591 | 0.86 | ALDH1A1 (0.59) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL12313671 | 0.86 | NPSR1 (0.67) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 | |
| SCHEMBL12265958 | 0.86 | NPSR1 (0.67) | NPSR1ALDH1A1HTTSLC1A3SLC1A2 |
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-1998042657-A9 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | — | 1999-01-28 | — | — | WO | disclosed |
| WO-1998042657-A1 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-10-01 | — | — | WO | disclosed |