Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6986783 | 0.76 | ALDH1A1 (0.45) | TSHRHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL151981 | 0.73 | TSHR (0.65) | TSHRCYP1A2ALDH1A1MAPK1 | |
| SCHEMBL11862867 | 0.71 | KIF11 (0.49) | TSHRCYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL11670749 | 0.71 | TSHR (0.61) | TSHRCYP1A2ALDH1A1MAPK1 | |
| SCHEMBL28193891 | 0.71 | TSHR (0.61) | TSHRCYP1A2ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL15864874 | 0.71 | TSHR (0.61) | TSHRCYP1A2ALDH1A1MAPK1 | |
| Ammonia Solution, Strong SCHEMBL31241190 | 0.71 | TSHR (0.61) | TSHRCYP1A2ALDH1A1MAPK1 | |
| SCHEMBL11870534 | 0.69 | KIF11 (0.47) | TSHRALDH1A1LMNAMAPK1NPSR1 | |
| SCHEMBL11867089 | 0.69 | KCNN4 (0.50) | TSHRCYP1A2ALDH1A1 | |
| SCHEMBL11864924 | 0.69 | KIF11 (0.46) | TSHRCYP1A2ALDH1A1LMNAMAPT |
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-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |