Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7720909 | 0.94 | ALDH1A1 (0.45) | TSHRLMNASLC22A6NFKB1PMP22 | |
| SCHEMBL7720634 | 0.87 | LTA4H (0.36) | TSHRLMNASLC22A6PMP22LTA4H | |
| SCHEMBL444378 | 0.82 | TSHR (0.62) | TSHRLMNASLC22A6NFKB1PMP22 | |
| SCHEMBL31252833 | 0.81 | AKR1B1 (0.42) | TSHRSLC22A6ALDH1A1CYP1A2KMT2A | |
| SCHEMBL2721141 | 0.81 | TSHR (0.43) | TSHRPMP22ALDH1A1LTA4HCAMK2A | |
| SCHEMBL29211769 | 0.79 | TSHR (0.60) | TSHRLMNASLC22A6NFKB1PMP22 | |
| SCHEMBL28308008 | 0.79 | TSHR (0.60) | TSHRLMNASLC22A6NFKB1PMP22 | |
| SCHEMBL15721716 | 0.79 | TSHR (0.60) | TSHRLMNASLC22A6NFKB1PMP22 | |
| SCHEMBL2607368 | 0.79 | KDM4E (0.40) | LMNAALDH1A1LTA4HHDAC3CYP1A2 | |
| SCHEMBL17022393 | 0.79 | MEN1 (0.46) | TSHRPMP22ALDH1A1LTA4HTHRB |
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 |