Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | ACP1 | P24666 | 4/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6508976 | 0.92 | KMT2A (0.67) | KMT2AACP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL30207793 | 0.87 | ALDH1A1 (0.51) | KMT2AMEN1CYP3A4USP2ALOX15 | |
| SCHEMBL30979855 | 0.86 | EPHX2 (0.65) | KMT2AEPHX2HDAC6HDAC4HDAC1 | |
| SCHEMBL28421952 | 0.85 | EPHX2 (0.68) | KMT2AEPHX2HDAC6HDAC4HDAC1 | |
| SCHEMBL28424785 | 0.81 | MEN1 (0.67) | KMT2AEPHX2HDAC6HDAC4HDAC1 | |
| SCHEMBL31227621 | 0.79 | KMT2A (0.60) | KMT2ACHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29086653 | 0.77 | KLK7 (0.72) | KMT2AEPHX2MEN1KLK7CYP3A4 | |
| SCHEMBL7567797 | 0.77 | MME (0.51) | KMT2AACP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5499051 | 0.77 | KMT2A (0.55) | KMT2AACP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29850847 | 0.76 | EPHX2 (0.63) | KMT2AEPHX2 |
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-1187810-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE | SEPRACOR, INC. (US) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000071518-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE | SEPRACOR, INC. (US) | 2000-11-30 | — | — | WO | disclosed |