Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.38 |
| ▸ | WNT3A | P56704 | 3/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.37 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL996712 | 0.95 | CA9 (0.45) | CA9CYP3A4TSHRKMT2ANPC1 | |
| SCHEMBL997828 | 0.87 | CA9 (0.50) | CA9CYP3A4TSHRKMT2ANPC1 | |
| SCHEMBL997070 | 0.83 | TUBB4A (0.46) | CA9TSHRNPC1RAB9AKDM4E | |
| SCHEMBL997747 | 0.82 | TUBB4A (0.46) | CA9CYP3A4TSHRKMT2ARAB9A | |
| SCHEMBL997718 | 0.81 | CA9 (0.44) | CA9CYP3A4TSHRKDM4EALDH1A1 | |
| SCHEMBL996756 | 0.78 | ALDH1A1 (0.47) | TSHRKMT2ANPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL996594 | 0.78 | TSHR (0.47) | TSHRKMT2AMEN1KDM4E | |
| SCHEMBL997184 | 0.78 | TUBB4A (0.66) | CYP3A4TSHRKMT2ANPC1RAB9A | |
| SCHEMBL997181 | 0.78 | TUBB4A (0.66) | CYP3A4TSHRKMT2ANPC1RAB9A | |
| SCHEMBL2581752 | 0.78 | CA9 (0.48) | CA9CYP3A4TSHRKMT2ANPC1 |
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 |