Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8394743 | 1.00 | CES1 (0.45) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8391674 | 0.98 | CES1 (0.47) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8394052 | 0.95 | CES1 (0.47) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8391946 | 0.91 | CES1 (0.50) | CES1CES2AKR1B1ALDH1A1HTT | |
| SCHEMBL10608700 | 0.80 | CES1 (0.47) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8393666 | 0.79 | ALDH1A1 (0.43) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8395982 | 0.79 | ALDH1A1 (0.43) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8396802 | 0.77 | CES1 (0.44) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL4384036 | 0.76 | CES1 (0.47) | CES1CES2AKR1B1ALDH1A1ADRB2 | |
| SCHEMBL8393716 | 0.75 | DDB1 (0.50) | ALDH1A1KMT2A |
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 |