Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.53 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 2/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL322124 | 0.87 | MEN1 (0.33) | GPR35SMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL11228314 | 0.74 | GPR35 (0.95) | GPR35ERN1TDP1SMN1; SMN2MAPT | |
| SCHEMBL1077970 | 0.73 | GPR35 (1.00) | GPR35ERN1TDP1SMN1; SMN2MAPT | |
| SCHEMBL30135314 | 0.71 | GPR35 (0.95) | GPR35ERN1TDP1SMN1; SMN2MAPT | |
| SCHEMBL11228321 | 0.71 | GPR35 (0.95) | GPR35ERN1TDP1SMN1; SMN2MAPT | |
| SCHEMBL28324255 | 0.69 | L3MBTL1 (0.30) | KMT2AL3MBTL1HTT | |
| SCHEMBL28284104 | 0.66 | VCAM1 (0.30) | — | |
| Toluene SCHEMBL28998637 | 0.65 | GPR35 (0.73) | GPR35ERN1TDP1SMN1; SMN2MAPT | |
| SCHEMBL27674634 | 0.65 | ALDH1A1 (0.33) | GPR35TDP1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL104593 | 0.65 | GPR35 (0.72) | GPR35ERN1TDP1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2726451-A2 | SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS | Nalco Company (US) | 2014-05-07 | — | — | EP | disclosed |
| WO-2012173925-A2 | SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS | NALCO COMPANY (US) | 2012-12-20 | — | — | WO | disclosed |