Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.37 |
| ▸ | CTSG | P08311 | 3/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.37 |
| ▸ | CMA1 | P23946 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2774081 | 0.83 | NPC1 (0.44) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL2773946 | 0.81 | CA12 (0.41) | CES2CES1NPC1RAB9AALDH1A1 | |
| Benzoic Acid SCHEMBL29094693 | 0.73 | TSHR (0.54) | CES2CES1NAAAHDAC3HDAC4 | |
| Benzoic Acid SCHEMBL28937524 | 0.71 | CES2 (0.54) | CES2CES1NAAAHDAC3HDAC4 | |
| Benzamide SCHEMBL28899243 | 0.70 | CYP3A4 (0.57) | CES2CES1NAAAHDAC3HDAC4 | |
| SCHEMBL6057163 | 0.69 | ALDH1A1 (0.57) | CES2CES1NAAAHDAC3HDAC4 | |
| SCHEMBL1356205 | 0.69 | TSHR (0.41) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL28061051 | 0.68 | CES2 (0.58) | CES2CES1NAAALMNAPTGS2 | |
| SCHEMBL7826990 | 0.68 | KMT2A (0.57) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6057406 | 0.68 | CES2 (0.51) | CES2CES1NAAALMNAPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7666962-B2 | Polymerization with living characteristics | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2010-02-23 | — | — | US | disclosed |
| US-20080139764-A1 | Polymerization with living characteristics | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2008-06-12 | — | — | US | disclosed |