Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | CTSC | P53634 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3447413 | 1.00 | TSHR (0.51) | TSHRHTR2CHTR2BCTSCELANE | |
| SCHEMBL489770 | 1.00 | TSHR (0.51) | TSHRHTR2CHTR2BCTSCELANE | |
| SCHEMBL7412066 | 0.93 | TSHR (0.48) | TSHRHTR2CHTR2BGLAALDH1A1 | |
| SCHEMBL11425268 | 0.92 | HTR2C (0.45) | TSHRHTR2CHTR2BCTSCELANE | |
| SCHEMBL4069956 | 0.89 | TSHR (0.63) | TSHRHTR2CHTR2BCTSCELANE | |
| SCHEMBL630517 | 0.89 | TSHR (0.63) | TSHRHTR2CHTR2BCTSCELANE | |
| SCHEMBL693351 | 0.89 | TSHR (0.63) | TSHRHTR2CHTR2BCTSCELANE | |
| Hydrochloric Acid SCHEMBL1000787 | 0.87 | TSHR (0.65) | TSHRHTR2CHTR2BCTSCELANE | |
| Hydrochloric Acid SCHEMBL630516 | 0.87 | TSHR (0.65) | TSHRHTR2CHTR2BCTSCELANE | |
| Hydrochloric Acid SCHEMBL693350 | 0.87 | TSHR (0.65) | TSHRHTR2CHTR2BCTSCELANE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2951185-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | Aptinyx Inc. (US) | 2015-12-09 | — | — | EP | disclosed |
| EP-2771021-A2 | NMDA RECEPTOR MODULATORS AND USES THEREOF | North Western University (US) | 2014-09-03 | — | — | EP | disclosed |
| WO-2014120800-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | NAUREX, INC. (US) | 2014-08-07 | — | — | WO | disclosed |
| WO-2013063120-A2 | NMDA RECEPTOR MODULATORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2013-05-02 | — | — | WO | disclosed |
| WO-2008011557-A2 | HETEROARYL INHIBITORS OF RHO KINASE | BORCHARDT ALLEN J (US) | 2008-01-24 | — | — | WO | disclosed |