Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL901425 | 0.90 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR | |
| SCHEMBL6799660 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR | |
| Mannitol SCHEMBL7620660 | 0.79 | CASR (0.34) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR | |
| Leucine SCHEMBL2297615 | 0.77 | MMP2 (0.49) | ALDH1A1KDM4ETSHRHSD17B10MMP2 | |
| SCHEMBL7289294 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR | |
| Leucine SCHEMBL3812226 | 0.74 | MMP2 (0.48) | ALDH1A1KDM4ETSHRHSD17B10MMP2 | |
| Leucine SCHEMBL1406254 | 0.72 | MMP2 (0.50) | ALDH1A1KDM4ETSHRHSD17B10MMP2 | |
| SCHEMBL8713936 | 0.72 | KDM4E (0.36) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR | |
| SCHEMBL6801153 | 0.71 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TSHRHSD17B10LMNA | |
| Leucine SCHEMBL28593704 | 0.70 | SLC7A5 (0.40) | GRIK1GRIK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0788360-A4 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | PROSCRIPT INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0788360-A1 | BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES | PROSCRIPT, INC. (US) | 1997-08-13 | — | — | EP | disclosed |