Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 4/20 | 0.40 |
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5794077 | 0.89 | TACR1 (0.47) | TACR1 | |
| SCHEMBL5792856 | 0.87 | SLC1A3 (0.44) | IDO1POLBKIF11TACR1KDM4E | |
| SCHEMBL5790213 | 0.86 | PKM (0.48) | IDO1KIF11TACR1SLC1A5FFAR1 | |
| SCHEMBL5790686 | 0.86 | IDO1 (0.51) | IDO1TACR1SLC1A5FFAR1MAOB | |
| SCHEMBL5790375 | 0.86 | IDO1 (0.44) | IDO1CHRM3FFAR1MAOBKDM4E | |
| SCHEMBL5793923 | 0.86 | IDO1 (0.44) | IDO1CHRM3FFAR1MAOBTAAR1 | |
| SCHEMBL5791244 | 0.85 | IDO1 (0.48) | IDO1CHRM3SLC1A5FFAR1MAOB | |
| SCHEMBL5792475 | 0.82 | CETP (0.43) | KIF11TACR1 | |
| SCHEMBL5793432 | 0.80 | TACR1 (0.47) | IDO1POLBTACR1 | |
| SCHEMBL5791672 | 0.80 | TACR1 (0.46) | IDO1KIF11TACR1KDM4ELMNA |
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 |