Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6292376 | 0.85 | TSHR (0.50) | TSHRNAAAHTR2CALDH1A1HPGD | |
| SCHEMBL5411939 | 0.80 | ALDH1A1 (0.57) | TSHRNAAAALDH1A1HPGDATM | |
| SCHEMBL28347637 | 0.80 | TSHR (0.55) | TSHRNAAAHTR2CALDH1A1HPGD | |
| SCHEMBL27849939 | 0.79 | TSHR (0.59) | TSHRNAAAALDH1A1HPGDATM | |
| SCHEMBL2455979 | 0.78 | NAAA (0.48) | TSHRNAAAHTR2CALDH1A1HPGD | |
| SCHEMBL175306 | 0.77 | — | — | |
| SCHEMBL196995 | 0.76 | TSHR (0.55) | TSHRNAAAALDH1A1HPGDATM | |
| SCHEMBL31519527 | 0.76 | TSHR (0.55) | TSHRNAAAALDH1A1HPGDATM | |
| SCHEMBL196926 | 0.76 | TSHR (0.55) | TSHRNAAAALDH1A1HPGDATM | |
| SCHEMBL6238875 | 0.76 | TSHR (0.55) | TSHRNAAAALDH1A1HPGDATM |
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-6069272-A | Simplified method for the production of vinyl glycine (2-aminobut-3-enoic acid) and a convenient resolution of a derivative | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-05-30 | — | — | US | disclosed |
| EP-0559927-B1 | A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative | HOECHST AG (DE) | 1997-03-05 | — | — | EP | disclosed |
| EP-0559927-A1 | A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative | Hoechst Schering AgrEvo GmbH (DE) | 1993-09-15 | — | — | EP | disclosed |