Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905800 | 0.89 | AKR1B1 (0.54) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8905896 | 0.88 | PTGS2 (0.41) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8905930 | 0.88 | AKR1B1 (0.41) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8904844 | 0.88 | AKR1B1 (0.43) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8904821 | 0.87 | CXCL8 (0.41) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL9030256 | 0.87 | CXCL8 (0.40) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8904566 | 0.86 | NPC1 (0.40) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8904611 | 0.86 | CXCL8 (0.40) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL9031112 | 0.86 | CXCL8 (0.40) | AKR1B1CXCL8PTGS1PTGS2GLO1 | |
| SCHEMBL8905995 | 0.86 | CXCL8 (0.40) | AKR1B1CXCL8PTGS1PTGS2GLO1 |
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-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |