Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL997205 | 0.82 | CA9 (0.40) | CA9CYP3A4TSHRKDM4EKMT2A | |
| SCHEMBL996979 | 0.78 | TUBB4A (0.52) | CYP3A4TSHRKDM4EKMT2AALDH1A1 | |
| SCHEMBL996646 | 0.77 | TNFRSF1A (0.48) | KDM4EALDH1A1LMNAMAPT | |
| SCHEMBL18987410 | 0.76 | CYP3A4 (0.41) | CYP3A4KMT2AALDH1A1HSD17B10MEN1 | |
| SCHEMBL19005969 | 0.76 | CYP19A1 (0.45) | CYP3A4TSHRKMT2AHSD17B10MEN1 | |
| SCHEMBL18987395 | 0.75 | CHRM4 (0.37) | KDM4EKMT2AALDH1A1MEN1LMNA | |
| SCHEMBL19005989 | 0.75 | HDAC1 (0.37) | CYP3A4KMT2AALDH1A1HSD17B10MEN1 | |
| SCHEMBL997147 | 0.75 | TUBB1 (0.48) | KDM4EKMT2AALDH1A1MEN1HPGD | |
| SCHEMBL997271 | 0.74 | TUBB1 (0.48) | KDM4EKMT2AALDH1A1MEN1HPGD | |
| SCHEMBL997270 | 0.74 | TUBB1 (0.48) | KDM4EKMT2AALDH1A1MEN1HPGD |
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 |