Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8393666 | 0.98 | ALDH1A1 (0.43) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL8395982 | 0.98 | ALDH1A1 (0.43) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL8395509 | 0.97 | CES1 (0.44) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL8392962 | 0.93 | CES1 (0.47) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL8391674 | 0.79 | CES1 (0.47) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL8393399 | 0.77 | CES1 (0.45) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8394743 | 0.77 | CES1 (0.45) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8392662 | 0.76 | DDB1 (0.49) | ALDH1A1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL8394052 | 0.75 | CES1 (0.47) | CES1CES2AKR1B1CTBP2ALDH1A1 | |
| SCHEMBL8391554 | 0.75 | LMNA (0.41) | CES1CES2ALDH1A1ADRB2HTT |
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-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |