Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 6/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9383261 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL11022050 | 0.85 | KIF11 (0.44) | SMN1; SMN2CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL22044362 | 0.85 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL28669112 | 0.84 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL308613 | 0.83 | ALDH1A1 (0.39) | SMN1; SMN2CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL22044370 | 0.83 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL4056758 | 0.81 | CNR1 (0.41) | CYP3A4TDP1ALOX15KIF11CNR1 | |
| SCHEMBL16191085 | 0.81 | CNR1 (0.42) | CYP3A4TDP1KIF11CNR1CNR2 | |
| SCHEMBL10492504 | 0.80 | ESR1 (0.43) | SMN1; SMN2CYP3A4ALOX15CNR1CNR2 | |
| SCHEMBL3751989 | 0.78 | CYP3A4 (0.45) | SMN1; SMN2CYP3A4TDP1ALOX15ALDH1A1 |
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-0069065-B1 | PROCESS FOR THE ALKYLATION OR ARALKYLATION OF AROMATIC AMINES | CIBA-GEIGY AG (CH) | 1985-02-13 | — | — | EP | disclosed |
| US-4436936-A | ACID CATALYSTS | CIBA-GEIGY CORPORATION (US) | 1984-03-13 | — | — | US | disclosed |
| EP-0069065-A1 | Process for the alkylation or aralkylation of aromatic amines | CIBA-GEIGY AG (CH) | 1983-01-05 | — | — | EP | disclosed |