Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7335613 | 0.87 | RAB9A (0.51) | ESR1RAB9AS1PR1KDM4EHTT | |
| SCHEMBL7335466 | 0.84 | ESR1 (0.59) | ESR1CA12CA1CA2CA4 | |
| SCHEMBL7324331 | 0.83 | CA12 (0.61) | ESR1CA12CA1CA2CA4 | |
| SCHEMBL7360099 | 0.83 | LMNA (0.55) | RAB9AHTTGAAHPGDMAPT | |
| SCHEMBL7328822 | 0.82 | ESR1 (0.54) | ESR1CA12CA1CA2CA4 | |
| SCHEMBL216023 | 0.80 | LMNA (0.51) | KDM4EHTTALDH1A1MEN1KMT2A | |
| SCHEMBL8542191 | 0.79 | F2 (0.60) | RAB9ACA12CA1CA2CA4 | |
| SCHEMBL6063203 | 0.78 | ESR1 (0.79) | ESR1RAB9AS1PR1KDM4EHTT | |
| SCHEMBL8549781 | 0.76 | F2 (0.71) | ESR1RAB9AS1PR1 | |
| SCHEMBL20573986 | 0.74 | ALDH1A1 (0.68) | ESR1RAB9AS1PR1KDM4EHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0687253-B1 | 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME | BOEHRINGER MANNHEIM GMBH (DE) | 1998-12-16 | — | — | EP | disclosed |
| EP-0687253-A1 | NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME | Roche Diagnostics GmbH (DE) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994020467-A1 | NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME | BOEHRINGER MANNHEIM GMBH (DE) | 1994-09-15 | — | — | WO | disclosed |