Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6940918 | 1.00 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6940923 | 0.80 | L3MBTL1 (0.34) | CTSKL3MBTL1 | |
| SCHEMBL27487428 | 0.80 | L3MBTL1 (0.34) | CTSKL3MBTL1 | |
| SCHEMBL27487429 | 0.77 | CTSL (0.30) | CTSLCTSSCTSKL3MBTL1 | |
| SCHEMBL6940925 | 0.77 | CTSL (0.30) | CTSLCTSSCTSKL3MBTL1 | |
| SCHEMBL6374183 | 0.66 | TDP1 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19FFAR2 | |
| SCHEMBL6374179 | 0.66 | TDP1 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19FFAR2 | |
| SCHEMBL28146565 | 0.66 | CTSK (0.45) | CYP3A4GRIK1GRIK2CHRM1AKR1A1 | |
| SCHEMBL14443175 | 0.65 | METAP1 (0.36) | TDP1 | |
| SCHEMBL13601089 | 0.65 | METAP1 (0.36) | TDP1 |
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-0993442-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6235787-B1 | ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. | 2001-05-22 | — | — | US | disclosed |