Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ibandronic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 19/20 | 0.97 |
| ▸ | GGPS1 | O95749 | 8/20 | 0.97 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.97 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.97 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.97 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.59 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.59 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.59 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Ibandronic Acid SCHEMBL9183 | 0.98 | FDPS (1.00) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL5818379 | 0.98 | FDPS (1.00) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL1030766 | 0.97 | FDPS (0.97) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL1579193 | 0.97 | FDPS (0.97) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL3419518 | 0.97 | FDPS (0.97) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| SCHEMBL2459702 | 0.97 | FDPS (0.97) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL27857197 | 0.97 | FDPS (0.97) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| SCHEMBL13308411 | 0.97 | FDPS (0.97) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL365290 | 0.95 | FDPS (0.93) | FDPSGGPS1AGTR1OPRM1PDE3A | |
| Ibandronic Acid SCHEMBL1240197 | 0.95 | FDPS (0.93) | FDPSGGPS1AGTR1OPRM1PDE3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011016738-A1 | A PROCESS FOR THE SYNTHESIS OF 1-HYDROXY-3-(N-METHYLPENTYLAMINO) PROPYLIDENE BISPHOSPHONIC ACID MONOSODIUM SALT, MONOHYDRATE | ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) | 2011-02-10 | — | — | WO | claimed |
| WO-2011016738-A1 | A PROCESS FOR THE SYNTHESIS OF 1-HYDROXY-3-(N-METHYLPENTYLAMINO) PROPYLIDENE BISPHOSPHONIC ACID MONOSODIUM SALT, MONOHYDRATE | ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) | 2011-02-10 | — | — | WO | disclosed |