Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22835128 | 0.86 | HDAC4 (0.44) | HTTTSHRHDAC4HDAC6KMT2A | |
| SCHEMBL22835130 | 0.79 | HDAC4 (0.44) | HTTTSHRHDAC4HDAC6KMT2A | |
| SCHEMBL2939599 | 0.79 | POLB (0.46) | HTTTSHRHDAC4HDAC6ALDH1A1 | |
| SCHEMBL1505245 | 0.79 | HTT (0.58) | HTTTSHRKMT2AMEN1CYP1A2 | |
| SCHEMBL1179297 | 0.78 | KMT2A (0.54) | HTTTSHRKMT2AMEN1CYP1A2 | |
| SCHEMBL8502338 | 0.76 | HTT (0.36) | HTTTSHRHDAC4HDAC6KMT2A | |
| SCHEMBL1185540 | 0.75 | ALDH1A1 (0.40) | HTTTSHRHDAC4HDAC6CA12 | |
| SCHEMBL1522372 | 0.74 | HDAC4 (0.58) | TSHRHDAC4HDAC6KMT2AMEN1 | |
| SCHEMBL20233526 | 0.74 | HDAC4 (0.46) | HTTTSHRHDAC4HDAC6ALDH1A1 | |
| SCHEMBL13141409 | 0.74 | HTT (0.49) | HTTTSHRKMT2ACYP2C19ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |