Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL997666 | 0.93 | HTT (0.50) | KDM4ENPSR1SMN1; SMN2CYP3A4HTT | |
| SCHEMBL7797968 | 0.86 | KDM4E (0.65) | KDM4ENPSR1SMN1; SMN2CYP3A4CA9 | |
| SCHEMBL10170555 | 0.84 | CYP3A4 (0.49) | KDM4ENPSR1CYP3A4HTTCA9 | |
| SCHEMBL10560818 | 0.84 | NPSR1 (0.51) | KDM4ENPSR1SMN1; SMN2CYP3A4HTT | |
| SCHEMBL7457674 | 0.78 | CYP3A4 (0.69) | KDM4ECYP3A4HTTCA9TSHR | |
| SCHEMBL30350316 | 0.78 | CYP3A4 (0.69) | KDM4ECYP3A4HTTCA9TSHR | |
| SCHEMBL20630769 | 0.78 | HTT (0.68) | KDM4ESMN1; SMN2CYP3A4HTTCA9 | |
| SCHEMBL10170563 | 0.75 | ALDH1A1 (0.40) | KDM4ENPSR1SMN1; SMN2CYP3A4HTT | |
| SCHEMBL6299608 | 0.74 | KDM4E (0.52) | KDM4ENPSR1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL10745009 | 0.74 | SMN1; SMN2 (0.54) | KDM4ESMN1; SMN2CYP3A4HTTCA9 |
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 1 patent. 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 | disclosed |