Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL6905672 | 0.80 | CA2 (0.41) | CYP1A2CA2GABRA1GABRB2ALDH1A1 | |
| SCHEMBL14336787 | 0.79 | CYP1A2 (0.35) | CYP1A2CA2ALDH1A1TSHRTDP1 | |
| SCHEMBL21216366 | 0.75 | DHPS (0.35) | CA2GABRA1GABRB2ALDH1A1KIF11 | |
| SCHEMBL21237202 | 0.74 | CREBBP (0.37) | CA2GABRA1GABRB2TDP1 | |
| SCHEMBL7008462 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL2641069 | 0.73 | DRD2 (0.50) | CYP1A2 | |
| SCHEMBL6904765 | 0.72 | DRD1 (0.42) | CA2CYP2A6GABRA1GABRB2ALDH1A1 | |
| SCHEMBL460485 | 0.72 | CYP1A2 (0.36) | CYP1A2CA2CYP2A6GABRA1GABRB2 | |
| P-Cresol SCHEMBL11350328 | 0.72 | ACHE (0.43) | CYP1A2CA2GABRA1GABRB2ALDH1A1 | |
| SCHEMBL24871632 | 0.71 | CA2 (0.44) | CA2GABRA1GABRB2ALDH1A1TSHR |
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-5329033-A | Metallocene catalyst, indene containing ligands, alumoxane cocatalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-07-12 | — | — | US | disclosed |
| US-5278264-A | Catalytic polymerizing in presence of a transition metal metallocene | HOECHST AG (DE) | 1994-01-11 | — | — | US | disclosed |