Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8530891 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL28937192 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL8529427 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL8158 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL30568759 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL20223657 | 0.75 | ALDH1A1 (0.75) | ALDH1A1TSHRCES2CES1HDAC3 | |
| SCHEMBL8664791 | 0.75 | ALDH1A1 (0.67) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL473817 | 0.74 | — | — | |
| SCHEMBL9556715 | 0.73 | ALDH1A1 (0.94) | ALDH1A1TSHRCTSDCES2CES1 | |
| SCHEMBL13685 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1068211-A2 | PROCESS FOR PURIFICATION OF A CEPHALOSPORIN DERIVATIVE | BIOCHEMIE Gesellschaft m.b.H. (AT) | 2001-01-17 | — | — | EP | claimed |
| WO-1999051607-A2 | PROCESS FOR PURIFICATION OF A CEPHALOSPORIN DERIVATIVE | BIOCHEMIE GESELLSCHAFT MBH (AT) | 1999-10-14 | — | — | WO | claimed |