Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CTH | P32929 | 1/20 | 0.41 |
| ▸ | CBS | P35520 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CD69 | Q07108 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL431399 | 1.00 | — | — | |
| SCHEMBL27975146 | 0.97 | TSHR (0.39) | TSHRCTHCBSTHPOTHRB | |
| SCHEMBL11989017 | 0.83 | PAM (0.44) | TSHRCTHCBSTHPOTHRB | |
| SCHEMBL19203340 | 0.83 | TSHR (0.33) | TSHRCTHCBSTHPOTHRB | |
| SCHEMBL18840321 | 0.82 | TSHR (0.41) | TSHRCTHCBSTHPOTHRB | |
| SCHEMBL2445729 | 0.79 | LDHA (0.36) | TSHRHMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL12768993 | 0.79 | SMN1; SMN2 (0.32) | TSHRCTHCBSTHPOTHRB | |
| SCHEMBL15131909 | 0.79 | MAPK1 (0.38) | HMGCRCHRM1TBXA2RADRA1AMAPK1 | |
| SCHEMBL15677656 | 0.78 | — | — | |
| SCHEMBL3371075 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6359061-B1 | COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2002-03-19 | — | — | US | disclosed |
| US-6316623-B1 | USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |