Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL125906 | 0.81 | CA2 (0.41) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL10583003 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1 | |
| SCHEMBL6691244 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL1194484 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL3539990 | 0.78 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL11762666 | 0.77 | ALDH1A1 (0.34) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL5551926 | 0.77 | CA1 (0.35) | ALDH1A1TSHRCA2TRPA1GABRA1 | |
| SCHEMBL545684 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| Phosphine SCHEMBL2238711 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL6131760 | 0.76 | PTGS2 (0.35) | ALDH1A1KIF11 |
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-1066229-A1 | OLIGOMERIZATION OF PROPYLENE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-01-10 | — | — | EP | disclosed |
| US-6063881-A | USING COBALT COMPLEXES OF PYRIDINEBIS(IMINES) AS CATALYSTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1999051550-A1 | OLIGOMERIZATION OF PROPYLENE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |