Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Tiludronic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.75 |
| ▸ | MMP8 | P22894 | 1/20 | 0.75 |
| ▸ | MMP14 | P50281 | 1/20 | 0.75 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| Tiludronic Acid SCHEMBL2323298 | 1.00 | MMP2 (0.75) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL18988 | 0.87 | MMP2 (1.00) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2326813 | 0.85 | MMP2 (0.55) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2324985 | 0.85 | MMP2 (0.55) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL3628467 | 0.85 | MMP2 (0.96) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL8607914 | 0.83 | MMP2 (0.92) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2320070 | 0.80 | MMP2 (0.58) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2321229 | 0.79 | MMP2 (0.57) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2326766 | 0.79 | MMP2 (0.57) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2067280 | 0.78 | MMP2 (0.80) | MMP2MMP8MMP14MMP1CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3362071-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Grünenthal GmbH (DE) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017049294-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| WO-2011097269-A9 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| EP-2531200-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Thar Pharmaceuticals, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097269-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |