Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL22485788 | 1.00 | HCAR2 (0.59) | HCAR2MAPTMEN1NPC1MAPK1 | |
| SCHEMBL8694161 | 1.00 | HCAR2 (0.59) | HCAR2MAPTMEN1NPC1MAPK1 | |
| Diethyl Maleate SCHEMBL2015895 | 0.83 | HCAR2 (0.80) | HCAR2MAPTLMNAMDM2ATM | |
| Diethyl Maleate SCHEMBL43033 | 0.83 | HCAR2 (0.80) | HCAR2MAPTLMNAMDM2ATM | |
| Diethyl Maleate SCHEMBL27966383 | 0.83 | HCAR2 (0.80) | HCAR2MAPTLMNAMDM2ATM | |
| Diethyl Maleate SCHEMBL2015896 | 0.83 | HCAR2 (0.80) | HCAR2MAPTLMNAMDM2ATM | |
| Diethyl Maleate SCHEMBL42602 | 0.83 | HCAR2 (0.80) | HCAR2MAPTLMNAMDM2ATM | |
| SCHEMBL18406963 | 0.83 | HCAR2 (0.62) | HCAR2MAPTMEN1NPC1MAPK1 | |
| Diethyl Maleate SCHEMBL60423 | 0.83 | HCAR2 (0.80) | HCAR2MAPTLMNAMDM2ATM | |
| Diethyl Maleate SCHEMBL135447 | 0.81 | HCAR2 (0.76) | HCAR2MAPTLMNAMDM2ATM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5846941-A | Isosteric antiherpes peptide derivatives II | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1998-12-08 | — | — | US | disclosed |
| EP-0560267-B1 | Isosteric antiherpes peptide derivatives | BOEHRINGER INGELHEIM CA LTD (CA) | 1998-08-19 | — | — | EP | disclosed |
| EP-0767671-A1 | METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1997-04-16 | — | — | EP | disclosed |
| US-5574015-A | Isosteric antiherpes peptide derivatives | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1996-11-12 | — | — | US | disclosed |
| CN-1126438-A | Method of combating acyclovir-resistant herpes simplex viral infections | BIO MEGA BOEHRINGER INGELHEIM (CA) | 1996-07-10 | — | — | CN | disclosed |
| WO-1994025046-A1 | METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-11-10 | — | — | WO | disclosed |
| WO-1993018056-A1 | ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1993-09-16 | — | — | WO | disclosed |
| EP-0560267-A1 | Isosteric antiherpes peptide derivatives | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1993-09-15 | — | — | EP | disclosed |