Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4456627 | 0.82 | KDM4E (0.47) | TSHRKMT2ACYP1A2CYP2A6GRIN2D | |
| SCHEMBL29672837 | 0.82 | KDM4E (0.47) | TSHRKMT2ACYP1A2CYP2A6GRIN2D | |
| SCHEMBL5028929 | 0.81 | WDR5 (0.41) | KMT2ACYP1A2KDM4EALDH1A1GAA | |
| SCHEMBL7411772 | 0.76 | CYP1A2 (0.42) | KMT2ACYP1A2CYP2A6KDM4EALDH1A1 | |
| SCHEMBL7198503 | 0.75 | TSHR (0.48) | TSHRKMT2ACYP1A2CYP2A6GRIN2D | |
| SCHEMBL350989 | 0.73 | KDM4E (0.67) | TSHRKMT2ACYP1A2CYP2A6KDM4E | |
| SCHEMBL6179565 | 0.73 | ALDH1A1 (0.49) | TSHRKMT2ACYP1A2CYP2A6KDM4E | |
| SCHEMBL29669502 | 0.73 | KDM4E (0.67) | TSHRKMT2ACYP1A2CYP2A6KDM4E | |
| SCHEMBL7382372 | 0.73 | RAF1 (0.34) | TDP1 | |
| SCHEMBL7414694 | 0.73 | SLC11A2 (0.36) | KMT2AKDM4EMAPTTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |