Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6427934 | 0.79 | IMPDH2 (0.43) | GRM2LCKELANEIMPDH2TSHR | |
| SCHEMBL17940706 | 0.76 | HTT (0.51) | HTT | |
| SCHEMBL28252193 | 0.72 | ALDH1A1 (0.44) | GRM2ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL3425500 | 0.72 | CYP17A1 (0.36) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL17940746 | 0.71 | HPGD (0.41) | GRM2ELANEALDH1A1MEN1KMT2A | |
| SCHEMBL17940741 | 0.71 | PI4KA (0.46) | LCKELANETSHRSMN1; SMN2MEN1 | |
| SCHEMBL17940689 | 0.70 | CYP17A1 (0.39) | GRM2LCKELANETSHR | |
| SCHEMBL25678940 | 0.70 | CTSL (0.43) | GRM2RAB9ATSHRALDH1A1KMT2A | |
| SCHEMBL17940747 | 0.70 | HPGD (0.48) | ELANERAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL17940732 | 0.69 | GABRA1 (0.49) | TSHRALDH1A1TDP1HTT |
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-106414448-B | It can be used as the new compound of S100- inhibitor | 活跃生物技术有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106414448-A | Novel compounds useful as s100-inhibitors | 活跃生物技术有限公司 | 2017-02-15 | — | — | CN | disclosed |