Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 8/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | KRAS | P01116 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL997118 | 1.00 | TNFRSF1A (0.47) | TNFRSF1AALOX5ALDH1A1LMNAMAPT | |
| SCHEMBL997208 | 0.85 | ABCG2 (0.42) | ALDH1A1MAPTCYP2D6 | |
| SCHEMBL997210 | 0.85 | ABCG2 (0.42) | ALDH1A1MAPTCYP2D6 | |
| SCHEMBL997749 | 0.83 | TUBB1 (0.47) | LMNAKDM4EAPP | |
| SCHEMBL997744 | 0.83 | TUBB1 (0.47) | LMNAKDM4EAPP | |
| SCHEMBL997556 | 0.82 | TUBB1 (0.48) | TNFRSF1AALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL997553 | 0.82 | TUBB1 (0.48) | TNFRSF1AALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL997193 | 0.81 | ABCG2 (0.42) | ALDH1A1LMNAMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL997198 | 0.81 | ABCG2 (0.42) | ALDH1A1LMNAMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL997801 | 0.81 | KDM4E (0.44) | ALOX5LMNAMAPTKDM4EAPP |
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 |