Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5792856 | 0.90 | SLC1A3 (0.44) | IDO1KIF11KMT2ASLC1A3SLC1A2 | |
| SCHEMBL5794403 | 0.88 | TACR1 (0.43) | IDO1KMT2ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL5793858 | 0.86 | CHRNB2 (0.47) | CHRM3IDO1KIF11KMT2AMEN1 | |
| SCHEMBL5790287 | 0.86 | SLC6A4 (0.44) | CHRM3IDO1KIF11KMT2ASLC1A3 | |
| SCHEMBL5793923 | 0.85 | IDO1 (0.44) | CHRM3IDO1CYP2C19 | |
| SCHEMBL5791685 | 0.85 | IDO1 (0.44) | IDO1KIF11KMT2ASLC1A3SLC1A2 | |
| SCHEMBL5794077 | 0.81 | TACR1 (0.47) | TACR1 | |
| SCHEMBL5793829 | 0.81 | IDO1 (0.42) | CHRM3IDO1KIF11KMT2ACYP2C19 | |
| SCHEMBL5791672 | 0.80 | TACR1 (0.46) | IDO1KIF11KMT2ALMNAKDM4E | |
| SCHEMBL5790274 | 0.78 | IDO1 (0.45) | CHRM3IDO1KIF11CYP2D6CYP2C9 |
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-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | claimed |
| WO-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |