Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5664007 | 0.72 | KDM4E (0.57) | TSHRCYP1A2L3MBTL1KMT2ANPSR1 | |
| SCHEMBL9355979 | 0.72 | TSHR (0.55) | TSHRCYP1A2KMT2AKDM4EALDH1A1 | |
| SCHEMBL9308330 | 0.70 | TSHR (0.53) | TSHRCYP1A2KMT2AKDM4EALDH1A1 | |
| SCHEMBL16828808 | 0.70 | MEN1 (0.55) | TSHRCYP1A2KMT2AKDM4EALDH1A1 | |
| SCHEMBL7354531 | 0.70 | TSHR (0.53) | TSHRCYP1A2KMT2AKDM4EALDH1A1 | |
| SCHEMBL7552030 | 0.70 | F10 (0.63) | TSHRCYP1A2POLBL3MBTL1CYP2C9 | |
| SCHEMBL28974979 | 0.70 | TSHR (0.74) | TSHRCYP1A2L3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL3583155 | 0.69 | TSHR (0.52) | TSHRCYP1A2KMT2AKDM4EALDH1A1 | |
| SCHEMBL510572 | 0.69 | ALDH1A1 (0.54) | TSHRCYP1A2L3MBTL1CYP2C9CYP2C19 | |
| Diethyl Phthalate SCHEMBL28781483 | 0.69 | TSHR (0.72) | TSHRCYP1A2POLBL3MBTL1CYP2C9 |
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-2023139084-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |