Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.55 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CPB1 | P15086 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8538696 | 0.94 | FAAH (0.50) | GRIN2BFAAHPOLBCPB1ALDH1A1 | |
| SCHEMBL8541116 | 0.94 | FAAH (0.57) | GRIN2BFAAHPOLBCPB1NPC1 | |
| SCHEMBL9031024 | 0.90 | PKM (0.53) | GRIN2BFAAHPOLBCPB1NPC1 | |
| SCHEMBL8545661 | 0.89 | GRIN2B (0.46) | GRIN2BFAAHCPB1ALDH1A1TBXAS1 | |
| SCHEMBL8540403 | 0.89 | TBXAS1 (0.46) | GRIN2BFAAHCPB1TBXAS1 | |
| SCHEMBL8541801 | 0.89 | GRIN2B (0.57) | GRIN2BFAAHPOLBNPC1TDP1 | |
| SCHEMBL8545335 | 0.89 | HDAC3 (0.54) | GRIN2BFAAHPOLBALDH1A1KDM4E | |
| SCHEMBL8546276 | 0.87 | CPB1 (0.55) | GRIN2BPOLBCPB1NPC1TDP1 | |
| SCHEMBL8540293 | 0.86 | CPB1 (0.44) | GRIN2BFAAHPOLBCPB1TBXAS1 | |
| SCHEMBL8540305 | 0.86 | FKBP1A (0.52) | CPB1TDP1FKBP1AALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705258-B1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| EP-0705258-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | Knoll AG (DE) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000507-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |