Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9052648 | 0.91 | HTR3A (0.50) | ALOX15NOTUMHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL1023584 | 0.80 | TSHR (0.59) | ALOX15NOTUMHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL1023583 | 0.80 | TSHR (0.59) | ALOX15NOTUMHTTALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9050997 | 0.79 | TSHR (0.57) | ALOX15NOTUMHTTALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1023299 | 0.79 | TSHR (0.57) | ALOX15NOTUMHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL9050600 | 0.76 | KEAP1 (0.55) | NOTUMHTTALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL9050205 | 0.75 | HTR3A (0.48) | NOTUMHTR3AADRA2AADRA2BADRA2C | |
| Fumaric Acid SCHEMBL9051209 | 0.75 | TSHR (0.52) | HTTALDH1A1SMN1; SMN2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL9052046 | 0.75 | BCHE (0.52) | ALDH1A1SMN1; SMN2MAPTGAAHTR3A | |
| Fumaric Acid SCHEMBL9052770 | 0.74 | POLB (0.52) | HTTALDH1A1SMN1; SMN2CYP3A4CYP2C19 |
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 |