Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15821556 | 0.78 | ALDH1A1 (0.48) | TSHRTRPA1ALDH1A1CES2CES1 | |
| SCHEMBL13364828 | 0.78 | CYP3A4 (0.48) | TSHRALDH1A1CYP3A4P2RY6ADRA2A | |
| SCHEMBL9822956 | 0.78 | ALDH1A1 (0.48) | TSHRTRPA1ALDH1A1CES2CES1 | |
| SCHEMBL131361 | 0.76 | ALDH1A1 (0.67) | TSHRTRPA1ALDH1A1CES2CES1 | |
| SCHEMBL10073625 | 0.76 | TSHR (0.46) | TSHRTRPA1ALDH1A1CES2CES1 | |
| SCHEMBL9654390 | 0.74 | NOS3 (0.52) | — | |
| SCHEMBL8505290 | 0.74 | ALDH1A1 (0.43) | TSHRTRPA1ALDH1A1CES2CES1 | |
| SCHEMBL18625893 | 0.74 | NOS3 (0.50) | TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL12955721 | 0.74 | PLAU (0.52) | TSHRTRPA1ALDH1A1 | |
| Bromide SCHEMBL29980639 | 0.73 | ALDH1A1 (0.62) | TSHRTRPA1ALDH1A1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021155439-A1 | BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF | PHARMAXIS LTD. (AU) | 2021-08-12 | — | — | WO | disclosed |
| WO-2011143772-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-24 | — | — | WO | disclosed |