Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.45 |
| ▸ | TACR1 | P25103 | 7/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4021955 | 0.84 | TACR1 (0.45) | KCNH2TACR1SLC6A4GABRA2GABRB2 | |
| SCHEMBL16770692 | 0.82 | TACR1 (0.46) | KCNH2TACR1SLC6A4GABRA2GABRB2 | |
| SCHEMBL17061916 | 0.82 | TACR1 (0.46) | KCNH2TACR1SLC6A4GABRA2GABRB2 | |
| SCHEMBL17069228 | 0.78 | TACR1 (0.44) | KCNH2TACR1SLC6A4GABRA2GABRB2 | |
| SCHEMBL21075333 | 0.75 | KCNH2 (0.44) | KCNH2TACR1SLC6A4GABRA2GABRB2 | |
| SCHEMBL21075678 | 0.73 | TACR1 (0.43) | KCNH2TACR1SLC6A4 | |
| SCHEMBL21075802 | 0.73 | TACR1 (0.49) | KCNH2TACR1SLC6A4MEN1KMT2A | |
| SCHEMBL19083939 | 0.73 | TACR1 (0.45) | KCNH2TACR1SLC6A4HPGDKMT2A | |
| SCHEMBL31170813 | 0.73 | TACR1 (0.38) | KCNH2TACR1SLC6A4GABRA2GABRB2 | |
| SCHEMBL561532 | 0.73 | GABRA2 (0.46) | KCNH2TACR1SLC6A4GABRA2GABRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009096941-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-06 | — | — | WO | disclosed |
| EP-2069328-A2 | 4-ARYLALKOXYMETHYL-4-PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS | Brystol-Myers Squibb Company (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008014247-A2 | 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |