Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL85493 | 0.78 | TSHR (0.57) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Ammonia Solution, Strong SCHEMBL28635068 | 0.74 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Ammonia Solution, Strong SCHEMBL28635066 | 0.74 | TSHR (0.53) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL1566869 | 0.74 | — | — | |
| SCHEMBL7170877 | 0.74 | — | — | |
| SCHEMBL3368017 | 0.73 | TSHR (0.44) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8993334 | 0.72 | — | — | |
| SCHEMBL14573217 | 0.72 | TSHR (0.50) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL301639 | 0.72 | TSHR (0.50) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL21641702 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016096610-A1 | ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-06-23 | — | — | WO | disclosed |