Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | TAF1 | P21675 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL763929 | 0.76 | GDA (0.50) | CYP3A4PMP22LMNAALDH1A1MAPT | |
| SCHEMBL13217355 | 0.74 | AURKA (0.43) | CYP3A4ALDH1A1TSHRSYKADORA1 | |
| SCHEMBL2115743 | 0.72 | ALDH1A1 (0.52) | CYP3A4PMP22LMNAALDH1A1MAPT | |
| SCHEMBL8272432 | 0.69 | BRD9 (0.47) | BRD4CYP3A4PMP22LMNAALDH1A1 | |
| SCHEMBL8392030 | 0.69 | PDE2A (0.41) | BRD4CYP3A4PMP22LMNABLM | |
| SCHEMBL7191707 | 0.68 | PDE2A (0.40) | BRD4CYP3A4PMP22LMNAALDH1A1 | |
| SCHEMBL20203174 | 0.67 | ADORA2A (0.48) | CYP3A4PMP22LMNAALDH1A1MAPT | |
| Caffeine SCHEMBL2327080 | 0.66 | ADORA2A (0.68) | CYP3A4PMP22BLMGDAPDE2A | |
| SCHEMBL9910656 | 0.66 | XDH (0.42) | CYP3A4PMP22GDAMAPK1ADORA3 | |
| SCHEMBL8906319 | 0.65 | ALDH1A1 (0.59) | ALDH1A1GDA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5698685-A | Morpholino-subunit combinatorial library and method | ANTIVIRALS INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5506337-A | Morpholino-subunit combinatorial library and method | ANTIVIRALS INC. (US) | 1996-04-09 | — | — | US | disclosed |