Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL22121584 | 0.83 | ALDH1A1 (0.41) | GABRA1GABRB2TSHRALDH1A1L3MBTL1 | |
| Benzene SCHEMBL11866495 | 0.82 | GABRA1 (0.36) | GABRA1GABRB2TSHR | |
| Benzene SCHEMBL28293157 | 0.82 | GABRA1 (0.36) | GABRA1GABRB2TSHR | |
| Toluene SCHEMBL27586261 | 0.81 | LMNA (0.48) | GABRA1GABRB2KMT2ATSHRALDH1A1 | |
| Fluorobenzene SCHEMBL27638995 | 0.78 | TSHR (0.45) | KMT2ATSHRALDH1A1TDP1L3MBTL1 | |
| SCHEMBL17961601 | 0.78 | CYP3A4 (0.45) | GABRA1GABRB2TSHRMAPK1ALDH1A1 | |
| Benzoic Acid SCHEMBL1457713 | 0.76 | TSHR (0.54) | KMT2ATSHRMAPK1HSD17B10ALDH1A1 | |
| SCHEMBL11195442 | 0.75 | HRH3 (0.38) | GABRA1GABRB2TSHRALDH1A1TDP1 | |
| Phenethyl Isocyanate SCHEMBL5082513 | 0.75 | MIF (0.53) | TSHRALDH1A1MIFTP53CYP2D6 | |
| Fluorobenzene SCHEMBL28813818 | 0.74 | NFE2L2 (0.43) | KMT2AALDH1A1SMN1; SMN2NFE2L2MEN1 |
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-108117551-A | Substitute (1H- pyrazoles [3,4-b] pyridine) carbamide compounds and its anticancer usage | 华东理工大学 | 2018-06-05 | — | — | CN | disclosed |
| CN-106458868-A | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2017-02-22 | — | — | CN | disclosed |