Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7716541 | 0.94 | TSHR (0.47) | ALDH1A1LMNATSHRNFKB1PMP22 | |
| SCHEMBL7720634 | 0.85 | LTA4H (0.36) | LMNATSHRPMP22LTA4HSLC22A6 | |
| SCHEMBL27157441 | 0.84 | ALDH1A1 (0.45) | ALDH1A1LMNATSHRNFKB1PMP22 | |
| SCHEMBL446542 | 0.82 | LMNA (0.65) | ALDH1A1LMNATSHRNFKB1PMP22 | |
| SCHEMBL21753144 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TSHRSLC22A6EPHX2GPR84 | |
| SCHEMBL21753088 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TSHRSLC22A6EPHX2GPR84 | |
| SCHEMBL21634673 | 0.80 | LTA4H (0.41) | ALDH1A1LTA4HADRA1AEPHX2CYP2D6 | |
| SCHEMBL22836769 | 0.80 | GPR84 (0.52) | ALDH1A1TSHRSLC22A6EPHX2GPR84 | |
| SCHEMBL6902041 | 0.80 | TSHR (0.67) | ALDH1A1LMNATSHRNFKB1PMP22 | |
| SCHEMBL21357404 | 0.80 | TSHR (0.67) | ALDH1A1LMNATSHRNFKB1PMP22 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6417396-B1 | BY-PRODUCT INHIBITION; REACTING ORGANIC ALKALI OR ALKALINE EARTH METAL CARBOXYLATE, PHOSPHONATE, OR SULFONATE; ACYLATION, PHOSPHORYLATION, SULFONATION, AMIDATION, ALKYLATION, CYCLIZATION, OR CONDENSATION | Lambert, Warner | 2002-07-09 | — | — | US | disclosed |
| US-6395930-B1 | AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS | WARNER LAMBERT | 2002-05-28 | — | — | US | disclosed |
| US-6121488-A | Quenching reagents for solution phase synthesis | WARNER-LAMBERT COMPANY (US) | 2000-09-19 | — | — | US | disclosed |