Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 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 | |
|---|---|---|---|---|
| SCHEMBL167880 | 0.82 | HSD17B3 (0.36) | MCL1KDM4EMAPTALDH1A1TSHR | |
| SCHEMBL9284659 | 0.74 | PGAM1 (0.44) | MEN1KMT2AMAPTALDH1A1HPGD | |
| SCHEMBL13868273 | 0.74 | TAAR1 (0.58) | KDM4EMAPTTAAR1PTGS2P2RX3 | |
| SCHEMBL20135974 | 0.73 | MCL1 (0.47) | MCL1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7939832 | 0.71 | HSD17B3 (0.40) | KMT2AKDM4EMAPTALDH1A1TSHR | |
| SCHEMBL30600118 | 0.70 | TAAR1 (0.65) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL12845585 | 0.70 | TAAR1 (0.65) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL12303964 | 0.70 | MCL1 (0.75) | MCL1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL2949402 | 0.69 | TAAR1 (0.71) | MEN1KMT2AKDM4EMAPTALDH1A1 | |
| SCHEMBL13519125 | 0.67 | MEN1 (0.57) | MCL1MEN1KMT2AKDM4EMAPT |
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-2020150115-A1 | NLRP3 MODULATORS | INNATE TUMOR IMMUNITY, INC. (US) | 2020-07-23 | — | — | WO | disclosed |