Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13855826 | 0.90 | PTGS2 (0.39) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL14201636 | 0.88 | KDM4E (0.38) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL8154080 | 0.86 | CYP1A2 (0.43) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL14613173 | 0.83 | GABRB3 (0.39) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL16005511 | 0.82 | KDM4E (0.38) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL27260206 | 0.81 | PDE2A (0.38) | KDM4EHPGDALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21999697 | 0.80 | ACLY (0.48) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL8709761 | 0.80 | GAA (0.43) | KDM4EHPGDLMNAMAPTTP53 | |
| SCHEMBL8162628 | 0.79 | TDP1 (0.60) | HPGDLMNAMAPTALDH1A1CYP1A2 | |
| SCHEMBL11609176 | 0.79 | ALDH1A1 (0.41) | KDM4EHPGDLMNAALDH1A1CYP3A4 |
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-103097364-B | Spiro-piperidine derivatives as S1P modulators | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2015-11-25 | — | — | CN | disclosed |