Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL24459594 | 0.93 | ESR1 (0.59) | CA2ALDH1A1HSD17B10ESR1ADRA2A | |
| SCHEMBL3841980 | 0.91 | ESR1 (0.63) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL83869 | 0.87 | CA2 (0.65) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL14090179 | 0.84 | LPL (0.50) | CA2ALDH1A1HSD17B10ESR1ADRA2A | |
| SCHEMBL9839955 | 0.84 | CA2 (0.62) | CA2CA1ALDH1A1HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL28990998 | 0.84 | CA2 (0.62) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10568421 | 0.84 | ALDH1A1 (0.65) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL8500851 | 0.83 | ALDH1A1 (0.54) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL17151320 | 0.82 | LPL (0.48) | CA2ALDH1A1ESR1KDM4EPLK1 | |
| SCHEMBL6682508 | 0.81 | ALDH1A1 (0.70) | CA2CA1ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |