Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16313693 | 0.85 | SOS1 (0.49) | SLC6A2SLC6A4SLC6A3TACR1SOS1 | |
| SCHEMBL1143633 | 0.84 | KDM4E (0.58) | TACR1KDM4EPKMLMNAHTT | |
| Hydrochloric Acid SCHEMBL5154366 | 0.83 | KDM4E (0.56) | TACR1KDM4EPKMLMNAHTT | |
| SCHEMBL14498225 | 0.81 | KDM4E (0.53) | SLC6A2SLC6A4SLC6A3SOS1KDM4E | |
| SCHEMBL27978884 | 0.81 | SLC6A4 (0.52) | SLC6A2SLC6A4SLC6A3SOS1LMNA | |
| SCHEMBL15025562 | 0.80 | TACR1 (0.49) | TACR1KDM4EPKMKMT2AMEN1 | |
| SCHEMBL14498226 | 0.80 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3SOS1KDM4E | |
| SCHEMBL70402 | 0.78 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3SOS1LMNA | |
| SCHEMBL2779198 | 0.78 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3TACR1SOS1 | |
| SCHEMBL28954715 | 0.78 | GBA1 (0.51) | SLC6A4KDM1AMAOAMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013083741-A1 | 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |