Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SNCA | P37840 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4269325 | 0.91 | KDM4E (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL4269322 | 0.91 | KDM4E (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| Pyrrolidine SCHEMBL4268541 | 0.86 | KDM4E (0.43) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| Pyrrolidine SCHEMBL4268542 | 0.86 | KDM4E (0.43) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| Pyrrole SCHEMBL4264304 | 0.81 | HTR1A (0.43) | ALDH1A1KDM4EHPGDPTGS1PTGS2 | |
| Pyrrole SCHEMBL4268503 | 0.77 | HDAC3 (0.38) | ALDH1A1KDM4EHPGDPTGS1PTGS2 | |
| SCHEMBL4278171 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1 | |
| SCHEMBL4278175 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1 | |
| SCHEMBL4279859 | 0.75 | RECQL (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1 | |
| SCHEMBL4279861 | 0.75 | RECQL (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | claimed |