Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ZDHHC7 | Q9NXF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6289573 | 0.90 | EPHX1 (0.41) | EPHX1CA2CA1CYP3A4TSHR | |
| SCHEMBL5244887 | 0.88 | EPHX1 (0.44) | EPHX1CA2CA1CYP3A4TSHR | |
| SCHEMBL5249428 | 0.86 | ACHE (0.47) | EPHX1ALOX15MMP9MMP8MMP14 | |
| SCHEMBL5244845 | 0.84 | CA2 (0.39) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL5246065 | 0.81 | EPHX1 (0.45) | EPHX1CA2CA1CYP3A4TSHR | |
| SCHEMBL5244825 | 0.81 | ALOX15 (0.41) | CA2CA1CHRNB2CHRNA4ALOX15 | |
| SCHEMBL5249235 | 0.80 | SMN1; SMN2 (0.41) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL5244912 | 0.79 | ACHE (0.49) | EPHX1ALOX15MMP9MMP8MMP14 | |
| SCHEMBL5245190 | 0.78 | EPHX1 (0.38) | EPHX1CA2CA1CYP3A4TSHR | |
| SCHEMBL5244774 | 0.76 | ACHE (0.49) | EPHX1ALOX15MMP9MMP8MMP14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379598-B1 | UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS | BASF AG (DE) | 2007-09-12 | — | — | EP | disclosed |
| US-6916854-B2 | Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-12 | — | — | US | disclosed |
| US-20040097642-A1 | Unsaturated compounds containing carbamate terminal groups or urea terminal groups | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |