Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902267 | 0.81 | ALDH1A1 (0.57) | AGTR1AGTR2PTGDR2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL11261373 | 0.81 | AGTR1 (0.42) | AGTR1AGTR2PTGDR2KDM4ECYP1A2 | |
| SCHEMBL8954292 | 0.80 | ALDH1A1 (0.49) | AGTR1AGTR2PTGDR2KDM4ESMN1; SMN2 | |
| SCHEMBL11095519 | 0.78 | CFTR (0.48) | AGTR1AGTR2PTGDR2 | |
| SCHEMBL11091674 | 0.76 | TP53 (0.53) | AGTR1AGTR2PTGDR2CYP1A2CYP2C9 | |
| SCHEMBL11093449 | 0.76 | ALDH1A1 (0.48) | AGTR1AGTR2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL6227119 | 0.75 | ALDH1A1 (0.43) | AGTR1AGTR2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11164570 | 0.74 | ALDH1A1 (0.57) | PTGDR2KDM4ESMN1; SMN2 | |
| SCHEMBL11090546 | 0.74 | ALDH1A1 (0.54) | AGTR1AGTR2PTGDR2KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL5331525 | 0.74 | AGTR1 (0.42) | AGTR1AGTR2CYP1A2CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6190691-B1 | ADMINISTERING FORMULATION COMPRISING TUMOR NERCOSIS FACTOR (TNF) PRODUCTION-INHIBITORY AMOUNT OF A COMPOUND SELECTED FROM LOPERAMIDE AND DIPHENOXYLATE TO MAMMAL | ADOLOR CORPORATION | 2001-02-20 | — | — | US | disclosed |
| US-5962477-A | USING LOPERAMIDE | ADOLOR CORPORATION (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0937460-A2 | Use of an antidiarrheal for the manufacture of a medicament for the treatment of inflammatory conditions | Adolor Corporation (US) | 1999-08-25 | — | — | EP | disclosed |