Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.43 |
| ▸ | TUBB | P07437 | 2/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.43 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.43 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.43 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.43 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL997904 | 1.00 | ABCG2 (0.47) | ABCG2MAOBMAOAARCYP1A2 | |
| SCHEMBL996227 | 0.96 | ABCG2 (0.47) | ABCG2MAOBMAOAARCYP1A2 | |
| SCHEMBL996228 | 0.96 | ABCG2 (0.47) | ABCG2MAOBMAOAARCYP1A2 | |
| SCHEMBL997351 | 0.89 | MAPT (0.53) | ABCG2CYP1A2TUBB4ATUBBTUBA3C | |
| SCHEMBL997353 | 0.89 | MAPT (0.53) | ABCG2CYP1A2TUBB4ATUBBTUBA3C | |
| SCHEMBL996614 | 0.85 | MAPT (0.53) | ABCG2CYP1A2TUBB4ATUBBTUBA3C | |
| SCHEMBL996613 | 0.85 | MAPT (0.53) | ABCG2CYP1A2TUBB4ATUBBTUBA3C | |
| SCHEMBL999703 | 0.84 | TUBB4A (0.61) | ABCG2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL999705 | 0.84 | TUBB4A (0.61) | ABCG2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL997326 | 0.82 | ABCG2 (0.56) | ABCG2MAOBMAOAARCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | claimed |
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |