Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL15109961 | 0.80 | ACMSD (0.56) | ACMSDMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL28024239 | 0.75 | BRD4 (0.42) | MEN1KMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL27979570 | 0.75 | SLC18A3 (0.33) | HSD17B10ALDH1A1CYP2C9 | |
| SCHEMBL28822639 | 0.74 | ALDH1A1 (0.36) | KDM4EALDH1A1CYP2C9MAPT | |
| SCHEMBL28103918 | 0.74 | USP30 (0.41) | MEN1KMT2AALDH1A1HPGDRECQL | |
| SCHEMBL28258134 | 0.74 | TSHR (0.40) | ALDH1A1RECQLALOX5POLB | |
| SCHEMBL27774788 | 0.72 | SLC6A2 (0.42) | PTGS2ALOX15 | |
| SCHEMBL12121564 | 0.72 | ACMSD (0.57) | ACMSDMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL27881571 | 0.72 | ACMSD (0.86) | ACMSDPTGS2MEN1KMT2AKDR | |
| SCHEMBL28096231 | 0.72 | USP30 (0.43) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104039799-B | As the macrocyclic amide of proteinase inhibitor | HOFFMAN-LA ROCHE LTD. (CH) | 2016-04-13 | — | — | CN | disclosed |
| CN-104039799-A | Macrocyclic amides as protease inhibitors | HOFFMANN LA ROCHE | 2014-09-10 | — | — | CN | disclosed |