Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.76 |
| ▸ | DHFR | P00374 | 1/20 | 0.74 |
| ▸ | PDE4A | P27815 | 2/20 | 0.67 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.67 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.67 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.67 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.64 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.64 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | GMNN | O75496 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL5477780 | 1.00 | ERBB2 (0.76) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL5477779 | 1.00 | ERBB2 (0.76) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL5595791 | 0.90 | ERBB2 (0.72) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL3374408 | 0.90 | ERBB2 (0.72) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL6405474 | 0.88 | ERBB2 (0.71) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL5476202 | 0.88 | DHFR (0.73) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL5476200 | 0.88 | DHFR (0.73) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL5469649 | 0.88 | DHFR (0.77) | ERBB2DHFRNPC1CSNK1DCSNK1A1 | |
| SCHEMBL6405476 | 0.88 | ERBB2 (0.71) | ERBB2DHFRPDE4APDE4BPDE4C | |
| SCHEMBL14448907 | 0.88 | DHFR (0.77) | ERBB2DHFRNPC1CSNK1DCSNK1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730579-B1 | SUBSTITUTED INDOLES AS PHOSPHODIESTERASE TYPE IV INHIBITORS | PFIZER (US) | 2001-03-07 | — | — | EP | disclosed |