Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.36 |
| ▸ | GGT1 | P19440 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 9/20 | 0.35 |
| ▸ | GAA | P10253 | 5/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2195223 | 0.75 | MAPK1 (0.42) | TSHRKDM4EALDH1A1HSD17B10PTGS2 | |
| SCHEMBL668901 | 0.75 | CA12 (0.41) | KDM4EALDH1A1TDP1MAPTGAA | |
| SCHEMBL996026 | 0.75 | CA12 (0.41) | KDM4EALDH1A1TDP1MAPTGAA | |
| SCHEMBL15539879 | 0.75 | KDM4E (0.39) | HTTKDM4EALDH1A1TDP1MAPT | |
| SCHEMBL29446937 | 0.74 | GBA1 (0.42) | HTTTSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL9937883 | 0.73 | TRPM4 (0.41) | HTTKDM4EMAPTLMNANPSR1 | |
| SCHEMBL9112001 | 0.73 | HTT (0.47) | HTTTSHRSLC22A6SHMT2KDM4E | |
| SCHEMBL670187 | 0.73 | ALDH1A1 (0.40) | HTTTSHRSLC22A6KDM4EALDH1A1 | |
| SCHEMBL24955836 | 0.70 | HTT (0.60) | HTTTSHRSLC22A6KDM4EALDH1A1 | |
| SCHEMBL4444465 | 0.68 | HTT (0.61) | HTTTSHRSLC22A6KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013188792-A2 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS, INC. (US) | 2013-12-19 | — | — | WO | disclosed |