Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | RXRB | P28702 | 2/20 | 0.34 |
| ▸ | RXRG | P48443 | 2/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10916780 | 0.93 | ESR1 (0.48) | ESR1ESR2KIF11CYP1A1CYP1A2 | |
| SCHEMBL2439497 | 0.84 | ESR1 (0.52) | ESR1ESR2KIF11TSHRHSD17B10 | |
| SCHEMBL971292 | 0.84 | CYP2A6 (0.50) | ESR1ESR2TSHRHSD17B10CYP1A1 | |
| SCHEMBL2439798 | 0.84 | ESR1 (0.43) | ESR1ESR2TSHRCYP1A1CYP1A2 | |
| SCHEMBL3160096 | 0.83 | ESR1 (0.42) | ESR1ESR2TAAR1 | |
| SCHEMBL2823833 | 0.83 | SLC6A4 (0.55) | ESR1ESR2CYP1A2SLC6A2HTR2A | |
| SCHEMBL5784144 | 0.82 | SLC6A2 (0.52) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL14268192 | 0.79 | ALDH1A1 (0.42) | ESR1ESR2TSHRCYP1A1CYP1A2 | |
| SCHEMBL27574461 | 0.78 | FDPS (0.40) | ESR1ESR2KIF11HSD17B10CYP1A2 | |
| SCHEMBL10914831 | 0.78 | HRH3 (0.38) | ESR1ESR2HRH3CYP1A2SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4564705-A | POLYAMIDE, POLYUREA AND POLYURETHANE MONOMERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-01-14 | — | — | US | disclosed |
| US-4451642-A | Bis(aminoneopentyl) aromatics and polyamides derived therefrom | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-05-29 | — | — | US | disclosed |
| US-4130579-A | Bis(2-methyl-2-cyanopropyl) aromatics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-12-19 | — | — | US | disclosed |