Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL308522 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GLAMAPTCYP3A4NAMPT | |
| SCHEMBL925941 | 0.67 | ALDH1A1 (0.53) | ALDH1A1GLAMAPTPOLBGFER | |
| SCHEMBL163689 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL30767694 | 0.64 | — | — | |
| SCHEMBL11747969 | 0.63 | CYP19A1 (0.44) | ALDH1A1MAPTADRA2AADRA2BADRA2C | |
| SCHEMBL438963 | 0.63 | MAPT (0.64) | ALDH1A1MAPTCYP3A4ADRA2AADRA2B | |
| SCHEMBL10113803 | 0.63 | MAPT (0.43) | ALDH1A1MAPTPOLBCYP3A4XDH | |
| SCHEMBL4056425 | 0.63 | MAPT (0.43) | ALDH1A1MAPTADRA2AADRA2BADRA2C | |
| SCHEMBL6781137 | 0.63 | TSHR (0.46) | ALDH1A1MAPTGFERLMNAMEN1 | |
| SCHEMBL27879821 | 0.63 | LMNA (0.43) | ALDH1A1MAPTCYP3A4NAMPTXDH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5684011-A | Pyrimidine derivatives useful as nematicides | ZENECA LIMITED (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0660827-B1 | HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY | ZENECA LTD (GB) | 1997-04-16 | — | — | EP | disclosed |
| EP-0660827-A1 | HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. | ZENECA LTD (GB) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006777-A1 | HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY | ZENECA LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |