Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 2/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH1A | P07327 | 2/20 | 0.35 |
| ▸ | ADH4 | P08319 | 2/20 | 0.35 |
| ▸ | ADH7 | P40394 | 2/20 | 0.35 |
| ▸ | SAT1 | P21673 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19731211 | 1.00 | TSHR (0.48) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL13339807 | 0.98 | TSHR (0.50) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL14175670 | 0.91 | TSHR (0.54) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL7031486 | 0.91 | TSHR (0.52) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL21165536 | 0.89 | TSHR (0.54) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL20756195 | 0.89 | TSHR (0.56) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL20387836 | 0.87 | TSHR (0.44) | TSHRCYP2C19CYP1A2MEN1GLA | |
| SCHEMBL11507752 | 0.86 | CYP2C19 (0.52) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL20841975 | 0.85 | LMNA (0.58) | TSHRCYP2C19CYP1A2KDM1AMEN1 | |
| SCHEMBL19882782 | 0.85 | LMNA (0.52) | TSHRCYP2C19CYP1A2MEN1GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020214537-A1 | MODULATORS OF RAS GTPASE | TOSK, INC. (US) | 2020-10-22 | — | — | WO | disclosed |
| EP-3683207-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Cadent Therapeutics, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |