Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP8 | P22894 | 1/20 | 0.57 |
| ▸ | MMP14 | P50281 | 1/20 | 0.57 |
| ▸ | GSR | P00390 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | BHMT | Q93088 | 1/20 | 0.36 |
| ▸ | OTC | P00480 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.35 |
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 SCHEMBL2326766 | 1.00 | MMP2 (0.57) | MMP2MMP8MMP14GSRMMP1 | |
| Tiludronic Acid SCHEMBL2320070 | 0.99 | MMP2 (0.58) | MMP2MMP8MMP14GSRMMP1 | |
| Tiludronic Acid SCHEMBL2326813 | 0.95 | MMP2 (0.55) | MMP2MMP8MMP14GSRMMP1 | |
| Tiludronic Acid SCHEMBL2324985 | 0.95 | MMP2 (0.55) | MMP2MMP8MMP14GSRMMP1 | |
| Tiludronic Acid SCHEMBL2323298 | 0.79 | MMP2 (0.75) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL2326547 | 0.79 | MMP2 (0.75) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL8607914 | 0.76 | MMP2 (0.92) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Tiludronic Acid SCHEMBL18988 | 0.76 | MMP2 (1.00) | MMP2MMP8MMP14MMP1CYP2C9 | |
| Lysine SCHEMBL5444480 | 0.74 | GSR (0.80) | GSRPOLBKMT2ATDP1OTC | |
| Lysine SCHEMBL11798743 | 0.74 | GSR (0.80) | GSRPOLBKMT2ATDP1OTC |
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-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 |