Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22093950 | 0.73 | CYP2A6 (0.55) | ACHEPTGS2 | |
| SCHEMBL30853167 | 0.73 | CYP2A6 (0.55) | ACHEPTGS2 | |
| SCHEMBL6949506 | 0.72 | BCHE (0.36) | BCHEACHE | |
| Hydrochloric Acid SCHEMBL6434858 | 0.71 | CYP2A6 (0.53) | ACHEPTGS2 | |
| SCHEMBL6992567 | 0.71 | ACHE (0.41) | BCHEACHE | |
| SCHEMBL17930060 | 0.69 | HTR2A (0.55) | HTR2AHTR2CHTR2BMMP1MMP9 | |
| SCHEMBL25252937 | 0.69 | CYP1A2 (0.52) | — | |
| SCHEMBL4655589 | 0.68 | CYP11B1 (0.34) | GPR84 | |
| SCHEMBL6944893 | 0.68 | CYP19A1 (0.48) | HTR2AHTR2CHTR2BALOX15ALOX12 | |
| SCHEMBL1412043 | 0.67 | CYP2A6 (0.52) | ACHEPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6509351-B1 | A method of inhibiting TNF- alpha in a patient in need thereof which comprises administering to said patient an effective amount of a compound for inflamation | SANOFI-SYNTELABO (FR) | 2003-01-21 | — | — | US | disclosed |