Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL30819472 | 0.79 | IDO1 (0.42) | TSHRMAPK1USP2HPGDIDO1 | |
| SCHEMBL4417498 | 0.76 | HPGD (0.60) | MAPK1HPGDIDO1 | |
| SCHEMBL2149192 | 0.76 | ALDH1A1 (0.45) | TSHRUSP2HPGDALDH1A1NPSR1 | |
| SCHEMBL14198763 | 0.75 | MAPK1 (0.70) | TSHRMAPK1USP2HPGDIDO1 | |
| SCHEMBL9716001 | 0.75 | IDO1 (0.35) | TSHRMAPK1USP2HPGDIDO1 | |
| SCHEMBL14198901 | 0.74 | CDYL2 (0.39) | TSHRMAPK1USP2HPGDPOLB | |
| SCHEMBL5542525 | 0.71 | GABRP (0.37) | TSHRMAPK1USP2HPGDIDO1 | |
| SCHEMBL5542528 | 0.71 | HTR1A (0.42) | TSHRMAPK1HPGDALDH1A1GABRP | |
| SCHEMBL5420633 | 0.71 | TSPO (0.52) | — | |
| SCHEMBL4303007 | 0.70 | PTGER4 (0.39) | TSHRMAPK1HPGDPOLBL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1608627-B1 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-05-07 | — | — | EP | disclosed |
| US-7202251-B2 | Bicyclic anilide spirohydantoin CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-04-10 | — | — | US | disclosed |
| US-7202251-B2 | Bicyclic anilide spirohydantoin CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-04-10 | — | — | US | disclosed |