Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7876535 | 0.80 | IDO1 (0.39) | IDO1KCNH2HRH3TDO2AKR1C3 | |
| SCHEMBL5762361 | 0.76 | SLC18A3 (0.44) | IDO1KCNH2HRH3AKR1C3AKR1C1 | |
| SCHEMBL24663869 | 0.74 | IDO1 (0.51) | IDO1KCNH2HRH3AKR1C3AKR1C1 | |
| SCHEMBL5762356 | 0.72 | ALDH1A1 (0.44) | IDO1SLC18A3KDM4EALDH1A1 | |
| SCHEMBL14379232 | 0.71 | KCNH2 (0.48) | KCNH2HRH3AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL20838768 | 0.71 | KCNH2 (0.48) | KCNH2HRH3AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL14379229 | 0.71 | KCNH2 (0.48) | KCNH2HRH3AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL17025330 | 0.71 | KCNH2 (0.48) | KCNH2HRH3AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL10994596 | 0.71 | IDO1 (0.41) | IDO1KCNH2HRH3TDO2SLC18A3 | |
| Bicarbonate SCHEMBL1720488 | 0.71 | AKR1C3 (0.63) | IDO1KCNH2HRH3AKR1C3AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6329400-B1 | INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS | GLAXO WELLCOME INC. | 2001-12-11 | — | — | US | disclosed |
| WO-2000012082-A1 | FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS | GLAXO GROUP LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |