Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MRGPRX1 | Q96LB2 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | TSPO | P30536 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.44 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165420 | 1.00 | CYP3A4 (0.61) | CYP3A4TSHRALDH1A1SMN1; SMN2HTT | |
| SCHEMBL7649272 | 0.87 | CA9 (0.51) | CYP3A4TSHRALDH1A1SMN1; SMN2HTT | |
| SCHEMBL31078354 | 0.86 | TSHR (0.56) | TSHRMRGPRX1LMNAL3MBTL1TSPO | |
| SCHEMBL1188345 | 0.86 | TSHR (0.56) | TSHRMRGPRX1LMNAL3MBTL1TSPO | |
| SCHEMBL30628273 | 0.86 | CYP3A4 (0.61) | CYP3A4TSHRALDH1A1SMN1; SMN2MRGPRX1 | |
| SCHEMBL4271221 | 0.86 | CYP3A4 (0.61) | CYP3A4TSHRALDH1A1SMN1; SMN2MRGPRX1 | |
| SCHEMBL16962098 | 0.86 | MRGPRX1 (0.46) | CYP3A4TSHRALDH1A1SMN1; SMN2HTT | |
| SCHEMBL11287767 | 0.85 | MRGPRX1 (0.49) | CYP3A4TSHRALDH1A1SMN1; SMN2MRGPRX1 | |
| SCHEMBL31565683 | 0.85 | MAPK1 (0.50) | CYP3A4TSHRSMN1; SMN2HTTMRGPRX1 | |
| SCHEMBL718460 | 0.83 | PTGDR2 (0.68) | TSHRALDH1A1SMN1; SMN2HTTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111170991-B | Antiproliferative compounds and methods of synthesis thereof | 细胞基因公司 | 2023-10-31 | — | — | CN | disclosed |