Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.41 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL478852 | 0.86 | CYP17A1 (0.60) | HDAC1HDAC6CYP17A1ABCC9ABCC8 | |
| SCHEMBL31501240 | 0.86 | CYP17A1 (0.60) | HDAC1HDAC6CYP17A1ABCC9ABCC8 | |
| SCHEMBL7532007 | 0.78 | HDAC1 (0.53) | HDAC1HDAC6CYP17A1ABCC9ABCC8 | |
| SCHEMBL6106476 | 0.77 | HDAC1 (0.73) | HDAC1HDAC6ABCC9ABCC8KCNJ11 | |
| SCHEMBL29808947 | 0.77 | HDAC1 (0.73) | HDAC1HDAC6ABCC9ABCC8KCNJ11 | |
| SCHEMBL478495 | 0.76 | HDAC1 (0.54) | HDAC1HDAC6CYP17A1SMN1; SMN2GAA | |
| SCHEMBL3415898 | 0.76 | HDAC1 (0.57) | HDAC1HDAC6ABCC9ABCC8KCNJ11 | |
| SCHEMBL24661913 | 0.74 | CYP17A1 (0.51) | HDAC1HDAC6CYP17A1SMN1; SMN2RAB9A | |
| SCHEMBL15376472 | 0.74 | CYP17A1 (0.57) | HDAC1HDAC6CYP17A1ABCC9ABCC8 | |
| SCHEMBL30871575 | 0.72 | CYP17A1 (0.55) | HDAC1HDAC6CYP17A1ABCC9ABCC8 |
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-2004110997-A1 | 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA | GLAXO GROUP LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |