Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 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 | |
|---|---|---|---|---|
| SCHEMBL27987013 | 0.84 | ALDH1A1 (0.63) | CYP1A2ALDH1A1L3MBTL1TSHRGAA | |
| SCHEMBL10091749 | 0.84 | ALDH1A1 (0.77) | CYP1A2ALDH1A1L3MBTL1TSHRGAA | |
| SCHEMBL31198088 | 0.82 | CYP1A2 (0.43) | CYP1A2ALDH1A1L3MBTL1GAAKDM4E | |
| SCHEMBL31198114 | 0.82 | CYP1A2 (0.43) | CYP1A2ALDH1A1L3MBTL1GAAKDM4E | |
| SCHEMBL31198065 | 0.81 | MAPT (0.47) | CYP1A2ALDH1A1L3MBTL1KDM4ERAB9A | |
| SCHEMBL31198057 | 0.81 | MAPT (0.47) | CYP1A2ALDH1A1L3MBTL1KDM4ERAB9A | |
| SCHEMBL31198103 | 0.81 | MEN1 (0.45) | CYP1A2ALDH1A1L3MBTL1TSHRSMN1; SMN2 | |
| SCHEMBL31198113 | 0.81 | MEN1 (0.45) | CYP1A2ALDH1A1L3MBTL1TSHRSMN1; SMN2 | |
| SCHEMBL15515514 | 0.80 | ALDH1A1 (0.58) | CYP1A2ALDH1A1L3MBTL1TSHRGAA | |
| SCHEMBL8702322 | 0.79 | ALDH1A1 (0.57) | CYP1A2ALDH1A1L3MBTL1TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-118930434-A | 2, 3-Dibromopropionate compound, and preparation method and application thereof | 陕西省生物农业研究所 | 2024-11-12 | — | — | CN | disclosed |
| CN-104529925-A | 5-(4-nitrophenyl)-3-hydroxylisoxazole and preparation process and use thereof | WUHAN INST TECHNOLOGY | 2015-04-22 | — | — | CN | disclosed |