Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 3/20 | 0.46 |
| ▸ | KDM1A | O60341 | 8/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 6/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8646217 | 0.77 | ENPP1 (0.44) | ENPP1EGFRPDE4APDE4BPDE4C | |
| SCHEMBL8650936 | 0.73 | EGFR (0.46) | KDM1AEGFRKDR | |
| SCHEMBL29478510 | 0.72 | ENPP1 (0.71) | ENPP1KDM1AEGFRKDRFLT1 | |
| SCHEMBL163465 | 0.72 | ENPP1 (0.71) | ENPP1KDM1AEGFRKDRFLT1 | |
| SCHEMBL1507719 | 0.71 | PARP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL8307436 | 0.71 | ENPP1 (0.69) | ENPP1KDM1AEGFRKDRFLT1 | |
| SCHEMBL8652562 | 0.71 | ENPP1 (0.60) | ENPP1KDM1AEGFRKDRFLT1 | |
| SCHEMBL7807551 | 0.69 | ENPP1 (0.67) | ENPP1EGFRERBB2KDRFLT1 | |
| SCHEMBL4073470 | 0.69 | PDE4A (0.50) | ENPP1EGFRPDE4APDE4BPDE4C | |
| SCHEMBL1010156 | 0.69 | ENPP1 (0.79) | ENPP1KDM1AEGFRKDRFLT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5736534-A | HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA | PFIZER INC. (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0746554-A1 | 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS | PFIZER INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995023141-A1 | 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS | PFIZER INC. (US) | 1995-08-31 | — | — | WO | disclosed |