Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.44 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9320238 | 1.00 | TSHR (0.50) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL22022841 | 1.00 | TSHR (0.50) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL6849563 | 0.93 | TSHR (0.44) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL7520388 | 0.88 | TSHR (0.51) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL28998261 | 0.88 | TSHR (0.51) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL28809788 | 0.88 | TSHR (0.51) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL28998252 | 0.88 | TSHR (0.51) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL4643423 | 0.86 | ALDH1A1 (0.41) | TSHRCA2GRIK1GRIK2 | |
| Hydrochloric Acid SCHEMBL9334447 | 0.86 | TSHR (0.46) | TSHRGPR84FFAR1MAPTLCK | |
| SCHEMBL7141060 | 0.85 | FFAR4 (0.41) | TSHRGPR84FFAR1PPARDFFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102458386-B | For the pharmaceutical composition of emergency contraception | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-04-06 | — | — | CN | disclosed |
| CN-102458386-A | Pharmaceutical composition for emergency contraception | BAYER SCHERING PHARMA AG | 2012-05-16 | — | — | CN | disclosed |
| US-5506325-A | GELATION INHIBITION | PPG INDUSTRIES, INC. (US) | 1996-04-09 | — | — | US | disclosed |