Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL502851 | 1.00 | KDM4E (0.40) | KDM4ECYP1A2LMNAAGTR1TRPA1 | |
| SCHEMBL503040 | 1.00 | KDM4E (0.40) | KDM4ECYP1A2LMNAAGTR1TRPA1 | |
| SCHEMBL502850 | 1.00 | KDM4E (0.40) | KDM4ECYP1A2LMNAAGTR1TRPA1 | |
| SCHEMBL16004867 | 0.82 | CASR (0.47) | KDM4ECYP1A2LMNAAGTR1TRPA1 | |
| SCHEMBL503052 | 0.81 | TRPA1 (0.39) | TRPA1AOC3HTTSLC6A2SLC6A4 | |
| SCHEMBL503051 | 0.81 | TRPA1 (0.39) | TRPA1AOC3HTTSLC6A2SLC6A4 | |
| SCHEMBL503338 | 0.81 | TRPA1 (0.39) | TRPA1AOC3HTTSLC6A2SLC6A4 | |
| SCHEMBL502893 | 0.76 | ADRB2 (0.36) | KDM4ELMNAMEN1KMT2AMAPK1 | |
| SCHEMBL502774 | 0.76 | ADRB2 (0.36) | KDM4ELMNAMEN1KMT2AMAPK1 | |
| SCHEMBL502775 | 0.76 | ADRB2 (0.36) | KDM4ELMNAMEN1KMT2AMAPK1 |
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-2600853-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012016879-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-09 | — | — | WO | disclosed |