Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9727737 | 0.69 | ESR1 (0.42) | ESR1CYP19A1ESR2IGF1RALOX15 | |
| SCHEMBL25328659 | 0.63 | ESR1 (0.69) | ESR1CYP19A1ESR2IGF1RALOX15 | |
| Broussonin A SCHEMBL774802 | 0.62 | ESR1 (1.00) | ESR1CYP19A1ESR2IGF1RALOX15 | |
| SCHEMBL5253951 | 0.61 | TAAR1 (0.59) | CALM1IDO1 | |
| SCHEMBL13084317 | 0.60 | ESR1 (0.78) | ESR1CYP19A1ESR2IGF1RALOX15 | |
| SCHEMBL9202466 | 0.60 | ESR1 (0.78) | ESR1CYP19A1ESR2IGF1RALOX15 | |
| SCHEMBL4254058 | 0.60 | CALM1 (0.72) | IGF1RALOX15CALM1IDO1 | |
| SCHEMBL18641701 | 0.59 | ESR1 (0.46) | ESR1CYP19A1ESR2ALOX15ALDH1A1 | |
| SCHEMBL4441801 | 0.59 | MAPT (0.60) | ALDH1A1LMNAGAAMAPTADRB2 | |
| SCHEMBL9146725 | 0.58 | CYP3A4 (0.48) | CYP19A1ALOX15ALDH1A1LMNAMAPT |
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-5091533-A | Treating allergies, cardiovascular disorders, inflammation | MERCK FROSST CANADA, INC. (CA) | 1992-02-25 | — | — | US | disclosed |