Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5743141 | 0.90 | KDR (0.46) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5745351 | 0.87 | KDR (0.40) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5743146 | 0.81 | KDR (0.44) | KDRPGK1SORT1LMNACHRNA7 | |
| SCHEMBL6952426 | 0.81 | KDR (0.45) | KDRLMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL4030073 | 0.78 | KDR (0.39) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5746291 | 0.77 | LMNA (0.44) | KDRPGK1SORT1LMNACHRNA7 | |
| SCHEMBL5746213 | 0.76 | SMN1; SMN2 (0.39) | KDRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5746260 | 0.76 | MDM4 (0.44) | KDRSORT1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL5743089 | 0.75 | KDR (0.42) | KDRSORT1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL5746185 | 0.74 | MAPT (0.45) | KDRSORT1LMNASMN1; SMN2ALDH1A1 |
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-0767172-B1 | 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5705499-A | VIRICIDES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| EP-0767172-A1 | 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1997-04-09 | — | — | EP | disclosed |