Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14842294 | 0.78 | TDO2 (0.33) | ERBB2PRKCICYP11B1 | |
| SCHEMBL30527748 | 0.78 | MEN1 (0.39) | ERBB2PRKCIHTTALDH1A1MAPT | |
| SCHEMBL1841305 | 0.78 | CCR1 (0.35) | ERBB2ALDH1A1LMNAMAPTRAB9A | |
| SCHEMBL3360364 | 0.78 | KDM4E (0.36) | ERBB2PRKCIALDH1A1KDM4EPOLB | |
| SCHEMBL17416894 | 0.78 | MEN1 (0.39) | ERBB2PRKCIHTTALDH1A1MAPT | |
| SCHEMBL25299754 | 0.78 | NTRK1 (0.33) | ERBB2PRKCIALDH1A1LMNAMAPT | |
| SCHEMBL14783084 | 0.78 | KDM4E (0.40) | ERBB2PRKCIALDH1A1KDM4EPOLB | |
| SCHEMBL25257654 | 0.74 | TDO2 (0.31) | — | |
| SCHEMBL30527595 | 0.74 | PLCG1 (0.36) | HTTALDH1A1MAPTMAPK1RAB9A | |
| SCHEMBL30510443 | 0.74 | TDO2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501825-A2 | SUBSTITUTED IMIDAZOLYLMETHYL PYRIDINE AND PYRAZINE DERIVATIVES: GABA A RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004041809-A2 | SUBSTITUTED IMIDAZOLYLMETHYL PYRIDINE AND PYRAZINE DERIVATIVES AND THEIR USE AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2004-05-21 | — | — | WO | disclosed |