Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL73652 | 0.87 | — | — | |
| Bromide SCHEMBL4974651 | 0.84 | — | — | |
| Urea SCHEMBL4974754 | 0.81 | RAB9A (0.43) | F2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL11188339 | 0.77 | F2 (0.36) | F2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL27559259 | 0.77 | CYP1A2 (0.33) | F2PRSS1PRSS2PRSS3ALDH1A1 | |
| Piperazine SCHEMBL27942477 | 0.75 | ADRB1 (0.34) | ALDH1A1TP53KMT2AMEN1CYP1A1 | |
| Toluene SCHEMBL27766666 | 0.75 | ACHE (0.46) | ALDH1A1TDP1KMT2AMEN1CYP1A1 | |
| Pyridine SCHEMBL27960280 | 0.75 | CYP2E1 (0.38) | ALDH1A1TP53HTTTDP1KMT2A | |
| SCHEMBL6939058 | 0.74 | F2 (0.40) | F2PRSS1PRSS2PRSS3ALDH1A1 | |
| Ethylene Glycol SCHEMBL28079805 | 0.73 | ERN1 (0.38) | F2PRSS1PRSS2PRSS3ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1918138-B | Thiadiazole compounds as CXC-and CC-chemokine receptor ligands | SCHERING CORP | 2011-05-04 | — | — | CN | disclosed |
| CN-1918156-B | Isothiazole dioxides as CXC-and CC-chemokine receptor ligands | SCHERING CORP | 2010-10-27 | — | — | CN | disclosed |
| CN-1720240-B | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORP | 2010-10-27 | — | — | CN | disclosed |
| CN-100338032-C | 3,4-di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORP (US) | 2007-09-19 | — | — | CN | disclosed |
| CN-1918156-A | Isothiazole dioxides as CXC-and CC-chemokine receptor ligands | SCHERING CORP AND PHARMACOPEIA (US) | 2007-02-21 | — | — | CN | disclosed |
| CN-1918138-A | Thiadiazole compounds as CXC-and CC-chemokine receptor ligands | SCHERING CORP AND PHARMACOPEIA (US) | 2007-02-21 | — | — | CN | disclosed |
| CN-1723194-A | 3, 4-disubstituted cyclobutene-1, 2-diones as CXC chemokine receptor ligands | SCHERING CORP (US) | 2006-01-18 | — | — | CN | disclosed |
| CN-1720240-A | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORP (US) | 2006-01-11 | — | — | CN | disclosed |