Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL15621164 | 0.89 | TET2 (0.45) | TSHRTET2RECQLHSD17B10GAA | |
| SCHEMBL52466 | 0.83 | CA12 (0.35) | TSHREGLN1GAAHMGCRCHRM1 | |
| SCHEMBL7719330 | 0.80 | GAA (0.45) | TSHRTET2GAAMGAMSI | |
| SCHEMBL19636757 | 0.76 | CA12 (0.33) | TSHRCA12CA14 | |
| SCHEMBL6627744 | 0.75 | EGLN1 (0.43) | TSHREGLN1TET2RECQLHMGCR | |
| SCHEMBL971982 | 0.75 | TSHR (0.43) | TSHRTET2RECQLHSD17B10GAA | |
| Hydrochloric Acid SCHEMBL11499797 | 0.73 | TSHR (0.42) | TSHRTET2RECQLHSD17B10GAA | |
| SCHEMBL162441 | 0.73 | KDM4E (0.48) | TSHRTET2RECQLHSD17B10GAA | |
| SCHEMBL1189424 | 0.72 | RIPK1 (0.45) | CYP2C19CA12CA2CA14MEN1 | |
| SCHEMBL2854781 | 0.72 | — | — |
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-1046638-B1 | Process for the preparation of aminoacid derivatives | DEGUSSA (DE) | 2003-10-01 | — | — | EP | disclosed |
| US-6399809-B1 | FROM MALONIC ACID MONOESTER AMIDE | DEGUSSA AG (DE) | 2002-06-04 | — | — | US | disclosed |
| EP-1046638-A2 | Process for the preparation of aminoacid derivatives | Degussa-Hüls Aktiengesellschaft (DE) | 2000-10-25 | — | — | EP | disclosed |