Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL997218 | 0.93 | KDM4E (0.49) | HTTSMN1; SMN2CYP3A4CA9KDM4E | |
| SCHEMBL20630769 | 0.82 | HTT (0.68) | HTTSMN1; SMN2CYP3A4CA9KDM4E | |
| SCHEMBL7797968 | 0.79 | KDM4E (0.65) | SMN1; SMN2CYP3A4CA9KDM4ENPSR1 | |
| SCHEMBL30350316 | 0.78 | CYP3A4 (0.69) | HTTCYP3A4CA9KDM4ETSHR | |
| SCHEMBL7457674 | 0.78 | CYP3A4 (0.69) | HTTCYP3A4CA9KDM4ETSHR | |
| SCHEMBL10560818 | 0.77 | NPSR1 (0.51) | HTTSMN1; SMN2CYP3A4KDM4ENPSR1 | |
| SCHEMBL10170555 | 0.77 | CYP3A4 (0.49) | HTTCYP3A4CA9KDM4ENPSR1 | |
| SCHEMBL10745009 | 0.74 | SMN1; SMN2 (0.54) | HTTSMN1; SMN2CYP3A4CA9KDM4E | |
| SCHEMBL11264181 | 0.74 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP3A4CA9NPSR1TSHR | |
| SCHEMBL8261355 | 0.74 | SMN1; SMN2 (0.59) | HTTSMN1; SMN2KDM4ENPSR1TSHR |
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 |