Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GALR2 | O43603 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27042004 | 1.00 | ALDH1A1 (0.45) | ALDH1A1HTTGAATDP1TSHR | |
| SCHEMBL27042269 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HTTTDP1KDM4EMEN1 | |
| SCHEMBL31501735 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HTTTDP1KDM4EMEN1 | |
| SCHEMBL27042365 | 0.80 | PKM (0.46) | ALDH1A1HTTTDP1MEN1KMT2A | |
| SCHEMBL31501755 | 0.80 | PKM (0.46) | ALDH1A1HTTTDP1MEN1KMT2A | |
| SCHEMBL2404162 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HTTGAATDP1TSHR | |
| SCHEMBL31501778 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HTTTDP1KDM4EMEN1 | |
| SCHEMBL27042252 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HTTTDP1KDM4EMEN1 | |
| SCHEMBL4711982 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HTTGAATDP1TSHR | |
| SCHEMBL29606539 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HTTGAATDP1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4558505-A2 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2025-05-28 | — | — | EP | disclosed |
| CN-119923398-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2025-05-02 | — | — | CN | disclosed |
| WO-2024020534-A2 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2024-01-25 | — | — | WO | disclosed |