Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.69 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.69 |
| ▸ | KDR | P35968 | 1/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.65 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL132567 | 0.94 | ESR1 (0.77) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL2488148 | 0.92 | ESR1 (0.69) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| Propylparaben SCHEMBL6670652 | 0.89 | ESR1 (0.89) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| Propylparaben SCHEMBL7200410 | 0.89 | ESR1 (0.89) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL9513979 | 0.88 | ESR1 (0.71) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL132495 | 0.88 | ESR1 (0.69) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL19763408 | 0.88 | ESR1 (0.69) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL133367 | 0.88 | ESR1 (0.69) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL16341015 | 0.86 | ESR1 (0.62) | ESR1ALDH1A1TSHRTDP1CHRM1 | |
| SCHEMBL10599154 | 0.86 | ESR1 (0.69) | ESR1ALDH1A1TSHRTDP1CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5252583-A | Isoquinoline derivatives for the treatment of glaucoma or ocular hypertension | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1993-10-12 | — | — | US | disclosed |