Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.32 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11592365 | 1.00 | ABCB1 (0.36) | ABCB1CYP19A1PTGS1KCNA3TSHR | |
| SCHEMBL7759177 | 0.81 | ABCB1 (0.30) | ABCB1 | |
| SCHEMBL15908511 | 0.81 | CYP19A1 (0.35) | CYP19A1PTGS1TSHRKMT2ACYP3A4 | |
| SCHEMBL8731752 | 0.80 | MAPK1 (0.33) | ABCB1MAPK1 | |
| SCHEMBL8732495 | 0.79 | GAA (0.49) | ABCB1KCNA3TSHRKMT2ALMNA | |
| SCHEMBL10704819 | 0.72 | CYP19A1 (0.39) | CYP19A1PTGS1TSHRKMT2AUSP2 | |
| SCHEMBL8731685 | 0.71 | CYP3A4 (0.43) | ABCB1CYP3A4 | |
| SCHEMBL3630532 | 0.71 | CYP3A4 (0.43) | ABCB1CYP3A4 | |
| SCHEMBL14458084 | 0.70 | — | — | |
| SCHEMBL25232601 | 0.69 | CYP3A4 (0.36) | CYP19A1PTGS1TSHRKMT2ACYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6348612-B1 | FORM COMPLEXES USED AS CATALYSTS FOR ENANTIOSELECTIVE REACTIONS SUCH AS ASYMMETRIC HYDROGENATIONS, ENANTIOSELECTIVE HYDROGEN DISPLACEMENTS, ALLYLIC SUBSTITUTION REACTIONS | ROCHE VITAMINS INC. | 2002-02-19 | — | — | US | disclosed |
| EP-0864576-A1 | Novel amidophospine-phosphinite derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-09-16 | — | — | EP | disclosed |
| EP-0691325-B1 | Asymmetric hydrogenation of ketoisophorone derivatives | HOFFMANN LA ROCHE (CH) | 1998-04-15 | — | — | EP | disclosed |
| US-5543559-A | USING A RHODIUM CATALYST HAVING AN OPTICALLY ACTIVE PIPHOSPHINE LIGAND | HOFFMAN-LA ROCHE INC. (US) | 1996-08-06 | — | — | US | disclosed |
| EP-0691325-A1 | Asymmetric hydrogenation of ketoisophorone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-01-10 | — | — | EP | disclosed |
| US-4156090-A | Polyene compounds | HOFFMANN-LA ROCHE INC. (US) | 1979-05-22 | — | — | US | disclosed |