Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.42 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL380579 | 0.93 | — | — | |
| SCHEMBL28760306 | 0.91 | — | — | |
| Methane SCHEMBL27481198 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL29752354 | 0.91 | TSHR (0.67) | TSHRLMNACYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL362692 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3946525 | 0.88 | — | — | |
| Cyanide SCHEMBL28953173 | 0.86 | TSHR (0.61) | TSHRLMNACYP1A2KDM4EALDH1A1 | |
| SCHEMBL1721050 | 0.86 | — | — | |
| SCHEMBL3208419 | 0.84 | TSHR (0.64) | TSHRLMNACYP1A2KDM4EALDH1A1 | |
| SCHEMBL2822938 | 0.84 | TSHR (0.64) | TSHRLMNACYP1A2KDM4EALDH1A1 |
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-103936752-A | Isatin histone deacetylase inhibitors as well as preparation method and applications thereof | WEIFANG BOCHUANG INTERNAT BIOMEDICAL RES INST | 2014-07-23 | — | — | CN | disclosed |