Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2453510 | 1.00 | TSHR (0.52) | TSHRTP53ESR1ESR2SLC6A4 | |
| SCHEMBL7239333 | 0.89 | TP53 (0.45) | TSHRTP53ESR1ESR2SLC6A4 | |
| SCHEMBL8964973 | 0.86 | MAPT (0.60) | ESR1ESR2LMNAPOLBMAPT | |
| SCHEMBL8263643 | 0.85 | ALDH1A1 (0.44) | SLC6A4SLC6A3LMNANCOA3MAPT | |
| SCHEMBL7262891 | 0.84 | CES2 (0.49) | TSHRTP53LMNAPOLBMAPT | |
| SCHEMBL8965070 | 0.84 | CES1 (0.49) | ESR1ESR2POLBMAPTMEN1 | |
| SCHEMBL2453507 | 0.83 | LMNA (0.52) | TSHRTP53ESR1ESR2SLC6A4 | |
| SCHEMBL27674108 | 0.82 | TSHR (0.52) | TSHRTP53ESR1ESR2SLC6A4 | |
| SCHEMBL5932426 | 0.81 | TSHR (0.45) | TSHRESR1ESR2LMNAKMT2A | |
| SCHEMBL11763215 | 0.81 | TSHR (0.39) | TSHRTP53ESR1ESR2SLC6A4 |
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-5493047-A | REACTING OPTICALLY ACTIVE CYANOHYDRIN WITH CARBOXYLIC ACID IN PRESENCE OF DIALKYL AZODICARBOXYLATE AND TRIPHENYLPHOSPHINE TO FORM ESTER OF OPPOSITE CONFIGURATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1996-02-20 | — | — | US | disclosed |
| EP-0601237-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |
| EP-0601632-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |