Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL8092078 | 0.92 | PTGS1 (0.48) | PTGS1PTGS2TDP1MAPTCCR2 | |
| SCHEMBL8525177 | 0.86 | PTGS1 (0.50) | PTGS1PTGS2TDP1MAPTCCR2 | |
| SCHEMBL8524014 | 0.84 | PTGS1 (0.46) | PTGS1PTGS2TDP1MAPTCCR2 | |
| SCHEMBL8481368 | 0.80 | PTGS1 (0.52) | PTGS1PTGS2MAPTCCR2CYP1A2 | |
| SCHEMBL8476353 | 0.79 | TDP1 (0.46) | PTGS1PTGS2TDP1MAPTCCR2 | |
| SCHEMBL8092076 | 0.77 | PTGS1 (0.47) | PTGS1PTGS2TDP1MAPTCCR2 | |
| SCHEMBL7161648 | 0.72 | PTGS1 (0.52) | PTGS1PTGS2CCR2SMN1; SMN2 | |
| SCHEMBL10996710 | 0.72 | TDP1 (0.62) | TDP1MAPTSMN1; SMN2PKMCYP1A2 | |
| SCHEMBL8524150 | 0.72 | PTGS1 (0.54) | PTGS1PTGS2MAPTCCR2POLB | |
| SCHEMBL7160901 | 0.71 | FFAR1 (0.60) | PTGS1PTGS2CCR2 |
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-6004948-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION | NYCOMED AUSTRIA GMBH (AT) | 1999-12-21 | — | — | US | disclosed |