Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.52 |
| ▸ | CTSS | P25774 | 7/20 | 0.52 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | PPARG | P37231 | 5/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28201868 | 1.00 | CTSK (0.52) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL318796 | 0.87 | CTSK (0.64) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL835996 | 0.87 | CTSK (0.64) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL1951491 | 0.87 | CTSK (0.64) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL10468511 | 0.79 | ACE (0.68) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL29398036 | 0.79 | HDAC4 (0.51) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL29401603 | 0.79 | HDAC4 (0.51) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL31407722 | 0.78 | CTSK (0.54) | CTSKCTSSACEPPARAPPARG | |
| SCHEMBL31230470 | 0.78 | CTSK (0.54) | CTSKCTSSACEPPARAPPARG | |
| Tetrahydrofuran SCHEMBL28201359 | 0.78 | CTSK (0.50) | CTSKCTSSCTSLCTSBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107635989-A | Benzimidizole derivatives as bromine domain inhibitor | 葛兰素史克知识产权开发有限公司 | 2018-01-26 | — | — | CN | disclosed |