Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18770760 | 0.86 | HTR2A (0.58) | HTR2AADRA2ASLC6A2KDM4EALDH1A1 | |
| SCHEMBL4556641 | 0.84 | ESR1 (0.55) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9820081 | 0.79 | ALDH1A1 (0.44) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8971649 | 0.78 | HTR2A (0.72) | HTR2AMAOAHRH1ESR1ADRA2A | |
| SCHEMBL2054494 | 0.78 | HTR2A (0.79) | HTR2AMAOAHRH1ESR1ADRA2A | |
| SCHEMBL1983658 | 0.76 | TSHR (0.32) | LMNATP53 | |
| SCHEMBL3227100 | 0.76 | MAOA (0.39) | HTR2AMAOAHRH1ALDH1A1TLR8 | |
| SCHEMBL7674345 | 0.75 | CA2 (0.49) | HTR2AALDH1A1LMNAHSD17B10CA2 | |
| SCHEMBL154543 | 0.75 | TP53 (0.37) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9010525 | 0.75 | FFAR1 (0.41) | ALDH1A1PTGS1PTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126836-B1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | disclosed |
| EP-1126836-A4 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1126836-A1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6194458-B1 | 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS | MERCK & CO., INC. | 2001-02-27 | — | — | US | disclosed |
| WO-2000025774-A1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |