Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4278171 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2APTGS2APP | |
| SCHEMBL4427869 | 0.82 | ALDH1A1 (0.36) | ALDH1A1KMT2APTGS2LMNAHPGD | |
| SCHEMBL4269322 | 0.82 | KDM4E (0.47) | ALDH1A1MEN1KMT2APTGS2LMNA | |
| SCHEMBL4269325 | 0.82 | KDM4E (0.47) | ALDH1A1MEN1KMT2APTGS2LMNA | |
| SCHEMBL4279861 | 0.81 | RECQL (0.47) | ALDH1A1MEN1KMT2APTGS2LMNA | |
| SCHEMBL4279859 | 0.81 | RECQL (0.47) | ALDH1A1MEN1KMT2APTGS2LMNA | |
| SCHEMBL4266223 | 0.80 | TRPV1 (0.51) | ALDH1A1KMT2APTGS2LMNAHPGD | |
| SCHEMBL4266221 | 0.80 | TRPV1 (0.51) | ALDH1A1KMT2APTGS2LMNAHPGD | |
| Pyrrole SCHEMBL4270409 | 0.77 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2APTGS2LMNA | |
| SCHEMBL4266849 | 0.77 | TRPM8 (0.36) | MEN1KMT2APTGS2LMNAPTGS1 |
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 |