Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL458268 | 0.73 | ALDH1A1 (0.67) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL15285326 | 0.73 | — | — | |
| SCHEMBL145855 | 0.71 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| Phosphine SCHEMBL22361930 | 0.71 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL13317292 | 0.71 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL12378007 | 0.71 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL26115 | 0.71 | — | — | |
| SCHEMBL341533 | 0.71 | ALDH1A1 (0.67) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL14449443 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL4815823 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9968684-B2 | Polymer-NSAID conjugate | POLYACTIVA PTY LTD (AU) | 2018-05-15 | — | — | US | disclosed |
| EP-2863921-B1 | POLYMER-NSAID CONJUGATE | POLYACTIVA PTY LTD (AU) | 2018-04-18 | — | — | EP | disclosed |