Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5788197 | 1.00 | NPSR1 (0.55) | NPSR1TSHRPOLBMEN1KMT2A | |
| SCHEMBL8320012 | 0.92 | NPSR1 (0.48) | NPSR1TSHRPOLBMEN1KMT2A | |
| SCHEMBL8320016 | 0.88 | NPSR1 (0.45) | NPSR1TSHRPOLBMEN1KMT2A | |
| SCHEMBL27430704 | 0.84 | TSHR (0.55) | NPSR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL2552734 | 0.84 | TSHR (0.74) | NPSR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL29785065 | 0.84 | TSHR (0.74) | NPSR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL7308049 | 0.81 | TSHR (0.51) | NPSR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL14409902 | 0.81 | GAA (0.51) | NPSR1TSHRMEN1KMT2AGAA | |
| SCHEMBL27010697 | 0.81 | RAB9A (0.55) | POLBMEN1KMT2AALDH1A1GAA | |
| SCHEMBL15072456 | 0.80 | NPC1 (0.47) | POLBMEN1KMT2AALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022114808-A1 | NEW SMALL-MOLECULE COMPOUND FOR CONTROLLING ENDOSOMAL TOLL-LIKE RECEPTOR AND THERAPEUTIC AGENT FOR AUTOIMMUNE DISEASES USING SAME | 에스앤케이테라퓨틱스 | 2022-06-02 | — | — | WO | disclosed |