Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 9/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 5/20 | 0.43 |
| ▸ | TUBB | P07437 | 5/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 5/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 5/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 5/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12024944 | 0.84 | MAOB (0.55) | ALDH1A1TSHRCA1CA2TP53 | |
| SCHEMBL5856821 | 0.81 | CA2 (0.48) | TUBB1ALDH1A1CYP1A2TSHRCYP3A4 | |
| SCHEMBL12659805 | 0.78 | ACHE (0.40) | ALDH1A1MAPTTSHRCYP3A4ALOX15 | |
| SCHEMBL29956009 | 0.76 | ALDH1A1 (0.40) | ALDH1A1MAPTALOX15ALOX12TP53 | |
| SCHEMBL12024940 | 0.76 | ALDH1A1 (0.47) | TUBB1ALDH1A1CYP1A2MAPTMEN1 | |
| SCHEMBL29954325 | 0.73 | LRRK2 (0.35) | CA1CA2 | |
| SCHEMBL11959890 | 0.73 | ACHE (0.35) | TUBB1ALDH1A1MAPTCYP3A4CA1 | |
| SCHEMBL2706567 | 0.73 | APP (0.43) | ALDH1A1MAPTALOX15APPCA1 | |
| SCHEMBL12024943 | 0.73 | TAAR1 (0.42) | ALDH1A1CA2MEN1KMT2A | |
| SCHEMBL68212 | 0.72 | MAOB (0.67) | TUBB1ALDH1A1AOX1CYP1A2MAPT |
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-8101619-B2 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | SOLVAY PHARMACEUTICALS B.V. (NL) | 2012-01-24 | — | — | US | disclosed |
| US-7705145-B2 | Process for the preparation of 4-(3′-chloro-4′-fluoroanilino) -7-methoxy-6-(3-morpholinopropoxy) quinazoline | ASTRAZENECA AB (SE) | 2010-04-27 | — | — | US | disclosed |