Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4023956 | 0.76 | KMT2A (0.43) | DPP4 | |
| SCHEMBL6202280 | 0.76 | L3MBTL1 (0.51) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL12494156 | 0.75 | TSHR (0.48) | CYP3A4 | |
| SCHEMBL7415900 | 0.74 | SIRT2 (0.47) | DPP4OPRM1 | |
| SCHEMBL12073062 | 0.74 | DPP4 (0.56) | DPP4OPRM1OPRK1CYP3A4 | |
| SCHEMBL12495209 | 0.73 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL16467013 | 0.73 | SIRT2 (0.47) | DPP4OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL8144659 | 0.72 | SIRT2 (0.49) | DPP4OPRM1OPRK1CYP3A4 | |
| SCHEMBL24263513 | 0.72 | CYP3A4 (0.38) | DPP4CYP3A4 | |
| SCHEMBL3618774 | 0.72 | L3MBTL1 (0.54) | — |
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-0853618-A4 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2000-03-15 | — | — | EP | disclosed |
| EP-0853618-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1998-07-22 | — | — | EP | disclosed |