Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.38 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16824868 | 0.90 | TSHR (0.41) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL4772549 | 0.85 | SLC6A1 (0.41) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL1033600 | 0.85 | TSHR (0.37) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL6353299 | 0.81 | SLC6A1 (0.35) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 | |
| SCHEMBL6353304 | 0.81 | SLC6A1 (0.35) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 | |
| SCHEMBL6355747 | 0.81 | SLC6A1 (0.35) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3832160 | 0.79 | SLC6A1 (0.34) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6357581 | 0.79 | SLC6A1 (0.34) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3832164 | 0.79 | SLC6A1 (0.34) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 | |
| SCHEMBL1410248 | 0.76 | HSD11B1 (0.36) | TSHRSLC6A1SLC6A11LMNASMN1; SMN2 |
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-2024358-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007133491-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-11-22 | — | — | WO | disclosed |