Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26896552 | 1.00 | TSHR (0.49) | TSHRMEN1KMT2ADPP4MMP3 | |
| SCHEMBL27507832 | 0.91 | MEN1 (0.45) | TSHRMEN1KMT2ADPP4MMP3 | |
| SCHEMBL16080190 | 0.83 | OPRK1 (0.50) | TSHRMEN1KMT2ADPP4MAPK1 | |
| SCHEMBL17590311 | 0.83 | TSHR (0.50) | TSHRDPP4ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL25181550 | 0.83 | TSHR (0.50) | TSHRDPP4ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL27500484 | 0.83 | OPRK1 (0.50) | TSHRMEN1KMT2ADPP4MAPK1 | |
| SCHEMBL1073143 | 0.82 | TSHR (0.68) | TSHRMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL473576 | 0.82 | TSHR (0.68) | TSHRMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL264775 | 0.82 | TSHR (0.68) | TSHRMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL5871596 | 0.82 | FFAR1 (0.49) | MEN1KMT2ADPP4ALDH1A1FFAR1 |
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-2023287964-A1 | LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-01-19 | — | — | WO | disclosed |
| WO-2022103752-A1 | RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-05-19 | — | — | WO | disclosed |