Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.51 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9852485 | 0.95 | ESR1 (0.52) | ESR1ESR2RYR2ABHD6TAAR1 | |
| SCHEMBL9852565 | 0.87 | RAB9A (0.45) | ESR1ESR2ABHD6TAAR1HCRTR1 | |
| SCHEMBL10398017 | 0.87 | RAB9A (0.43) | GAAHCRTR1HCRTR2CYP1A2CYP2C19 | |
| SCHEMBL9852572 | 0.84 | ME2 (0.53) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL28992968 | 0.79 | KDM4E (0.57) | TSHRALDH1A1 | |
| SCHEMBL10678740 | 0.78 | ESR1 (0.59) | ESR1ESR2RYR2ABHD6TAAR1 | |
| SCHEMBL10400059 | 0.77 | ESR1 (0.64) | ESR1ESR2RYR2ABHD6TAAR1 | |
| Hydrochloric Acid SCHEMBL9852489 | 0.76 | KDM4E (0.54) | TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL9852486 | 0.75 | KDM4E (0.53) | TSHRALDH1A1 | |
| SCHEMBL3245803 | 0.74 | ESR1 (0.64) | ESR1ESR2RYR2ABHD6TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0422666-A2 | 6-Substituted-1,2,3,4-tetrahydroisoquinolines | ABBOTT LABORATORIES (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4963563-A | TREATING GLAUCOMA; INHIBITORS OF ALPHA-2-ADRENERGIC RECEPTORS | ABBOTT LABORATORIES (US) | 1990-10-16 | — | — | US | disclosed |