Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | CPB1 | P15086 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544549 | 0.83 | GRIN2B (0.53) | POLBGRIN2BFAAHCPB1NPC1 | |
| SCHEMBL8544948 | 0.82 | HDAC3 (0.50) | FAAHALDH1A1 | |
| SCHEMBL8546968 | 0.81 | F10 (0.57) | POLBGRIN2BFAAHCPB1NPC1 | |
| SCHEMBL8696494 | 0.81 | NPC1 (0.53) | POLBNPC1TDP1ALDH1A1HPGD | |
| SCHEMBL8542377 | 0.80 | HRH3 (0.53) | GRIN2B | |
| SCHEMBL8545014 | 0.79 | CPB1 (0.60) | POLBGRIN2BFAAHCPB1NPC1 | |
| SCHEMBL8542324 | 0.79 | HTT (0.58) | POLBGRIN2BFAAHCPB1NPC1 | |
| SCHEMBL8540312 | 0.78 | GRIN2B (0.55) | POLBGRIN2BFAAHCPB1NPC1 | |
| SCHEMBL8546036 | 0.78 | POLB (0.54) | POLBGRIN2BFAAHCPB1NPC1 | |
| SCHEMBL8541896 | 0.78 | FAAH (0.56) | POLBGRIN2BFAAHCPB1NPC1 |
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-0705258-B1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| WO-1995000507-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |