Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15811144 | 0.95 | HDAC6 (0.57) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL18897627 | 0.81 | CA1 (0.70) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL14679459 | 0.81 | CA1 (0.71) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL31245919 | 0.79 | CA1 (0.67) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL1999900 | 0.79 | ALDH1A1 (0.48) | CA1CA2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL12471911 | 0.79 | CA1 (0.46) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL19112536 | 0.79 | TP53 (0.59) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL24574915 | 0.78 | LCK (0.60) | ALDH1A1LCKTSHRHSD17B10CYP2C9 | |
| SCHEMBL15284544 | 0.78 | CA1 (0.59) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL24413361 | 0.77 | CA1 (0.65) | CA1CA2HDAC3HDAC4HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009035307-A2 | NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN | EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) | 2009-03-19 | — | — | WO | disclosed |