Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 6/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 6/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | CTSE | P14091 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8594911 | 0.84 | NR3C1 (0.47) | KMT2AMAPTCTSDCTSEBACE1 | |
| Hydrochloric Acid SCHEMBL8553008 | 0.83 | CDK5 (0.49) | CDK5CDK5R1MAPTALDH1A1 | |
| SCHEMBL8592851 | 0.77 | CYP2C9 (0.45) | GPR119KDM4EKMT2AMAPTALDH1A1 | |
| SCHEMBL25626286 | 0.72 | GPR119 (0.47) | GPR119KDM4EMAPTCTSDCTSE | |
| SCHEMBL8550973 | 0.71 | GPR119 (0.51) | GPR119CTSDCTSEBACE1ALDH1A1 | |
| SCHEMBL8473888 | 0.71 | GPR119 (0.68) | GPR119ALDH1A1 | |
| SCHEMBL8473886 | 0.71 | GPR119 (0.68) | GPR119ALDH1A1 | |
| SCHEMBL947678 | 0.71 | GPR119 (0.50) | GPR119KDM4EMAPTCTSDCTSE | |
| SCHEMBL7369010 | 0.70 | MAPT (0.59) | GPR119KMT2AMAPTALDH1A1 | |
| SCHEMBL27460187 | 0.70 | GPR119 (0.49) | GPR119KDM4EMAPTCTSDCTSE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | disclosed |