Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9052644 | 0.91 | ALOX15 (0.49) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL8539574 | 0.80 | TSHR (0.59) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Hydrochloric Acid SCHEMBL9076705 | 0.79 | TSHR (0.57) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Hydrochloric Acid SCHEMBL30037316 | 0.79 | TSHR (0.57) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9050604 | 0.76 | KEAP1 (0.55) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9051223 | 0.75 | TSHR (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Hydrochloric Acid SCHEMBL9052055 | 0.75 | BCHE (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9050207 | 0.74 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9052777 | 0.74 | POLB (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL8479745 | 0.72 | ADRA1A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381422-B1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5496942-A | 5-HT3-RECEPTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5344927-A | 5-HT3 antagonist | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |
| EP-0381422-A1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1990-08-08 | — | — | EP | disclosed |