Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11246 | 1.00 | PYCR1 (0.49) | PYCR1KDM4ETDP1ERN1MEN1 | |
| SCHEMBL6044488 | 0.85 | KDM4E (0.53) | KDM4ETDP1MEN1USP2ALDH1A1 | |
| SCHEMBL30223764 | 0.85 | PYCR1 (0.51) | PYCR1KDM4ETDP1MEN1USP2 | |
| SCHEMBL1427602 | 0.85 | PYCR1 (0.51) | PYCR1KDM4ETDP1MEN1USP2 | |
| SCHEMBL3484619 | 0.83 | PYCR1 (0.50) | PYCR1KDM4ETDP1HTR2A | |
| SCHEMBL3858881 | 0.82 | TSHR (0.46) | TDP1MEN1ALDH1A1GAAMAPT | |
| SCHEMBL1569750 | 0.81 | TAAR1 (0.61) | HTR2AHTR2CTAAR1 | |
| SCHEMBL27488871 | 0.81 | PYCR1 (0.49) | PYCR1KDM4ETDP1MEN1USP2 | |
| SCHEMBL1446144 | 0.80 | PYCR1 (0.48) | PYCR1KDM4ETDP1HTR2A | |
| SCHEMBL20562481 | 0.80 | POLB (0.53) | PYCR1KDM4ETDP1MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113574058-B | Indole macrocyclic derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| WO-2023225369-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY | DUKE UNIVERSITY (US) | 2023-11-23 | — | — | WO | disclosed |
| CN-112533929-B | Indole macrocyclic derivatives, preparation method and medical application thereof | 福建盛迪医药有限公司 | 2022-09-16 | — | — | CN | disclosed |