Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 15/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 5/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16111137 | 0.76 | HTR2C (0.43) | HTR2CHTR2AHTR3AHTR2B | |
| SCHEMBL6164646 | 0.68 | HTR1A (0.60) | HTR2CHTR2AHTR3AHTR6HTR2B | |
| Hydrochloric Acid SCHEMBL9654609 | 0.67 | HTR1A (0.59) | HTR2CHTR2AHTR3AHTR6HTR2B | |
| SCHEMBL17868200 | 0.66 | PDK2 (0.41) | HTR2CHTR2AHTR3AHTR6HTR2B | |
| SCHEMBL10095080 | 0.66 | PDK2 (0.41) | HTR2CHTR2AHTR2B | |
| SCHEMBL20831669 | 0.65 | HCAR1 (0.46) | HTR2CHTR2AHTR2B | |
| SCHEMBL5880466 | 0.63 | HTR7 (0.44) | HTR6 | |
| SCHEMBL11882920 | 0.63 | NR1H2 (0.46) | HTR2ANR1H2 | |
| SCHEMBL5790172 | 0.62 | DRD1 (0.51) | HTR2CHTR2BNR1H2 | |
| SCHEMBL11774332 | 0.62 | NR1H2 (0.40) | HTR2ANR1H2 |
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-2978763-A1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014160692-A1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |