Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26186817 | 0.81 | RAB9A (0.36) | RAB9ANPC1KMT2AMEN1HSP90AA1 | |
| SCHEMBL20835363 | 0.80 | ALOX15 (0.44) | KMT2AMEN1HSP90AA1L3MBTL1SMN1; SMN2 | |
| SCHEMBL1820394 | 0.79 | CSNK2A1 (0.40) | KMT2AMEN1TRPA1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29749725 | 0.79 | CSNK2A1 (0.40) | KMT2AMEN1TRPA1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9274692 | 0.78 | RXRA (0.34) | RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL30482385 | 0.78 | RXRA (0.34) | RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1329346 | 0.78 | CYP2A6 (0.42) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL674175 | 0.77 | TDP1 (0.46) | KMT2AMEN1TRPA1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29444190 | 0.77 | TDP1 (0.46) | KMT2AMEN1TRPA1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3711371 | 0.77 | F2R (0.38) | RAB9ANPC1SMN1; SMN2MAPT |
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-111171068-B | Preparation method of silicon spiro-compound | 中国科学院上海有机化学研究所 | 2021-12-14 | — | — | CN | disclosed |
| CN-111171068-A | Preparation method of silicon spiro-compound | 中国科学院上海有机化学研究所 | 2020-05-19 | — | — | CN | disclosed |
| WO-2019141027-A1 | INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF | 南京华威医药科技集团有限公司 | 2019-07-25 | — | — | WO | disclosed |