Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27449202 | 0.86 | TSHR (0.51) | CES1CES2TSHRALDH1A1LMNA | |
| SCHEMBL6871299 | 0.83 | CYP19A1 (0.54) | CES1CES2CYP19A1TSHRALDH1A1 | |
| SCHEMBL4800395 | 0.82 | CYP19A1 (0.49) | CES1CES2CYP19A1TSHRALDH1A1 | |
| SCHEMBL8169066 | 0.82 | MAPT (0.58) | TSHRLMNAPOLBKMT2ATDP1 | |
| SCHEMBL27932154 | 0.77 | TSHR (0.57) | CES1TSHRALDH1A1LMNAPOLB | |
| SCHEMBL9145056 | 0.76 | CYP19A1 (0.56) | CES1CES2CYP19A1ALDH1A1LMNA | |
| SCHEMBL4592812 | 0.76 | CYP19A1 (0.56) | CES1CES2CYP19A1ALDH1A1LMNA | |
| SCHEMBL9144366 | 0.76 | CYP19A1 (0.56) | CES1CES2CYP19A1ALDH1A1LMNA | |
| SCHEMBL10886554 | 0.76 | TSHR (0.52) | CES1TSHRALDH1A1LMNAPOLB | |
| Nitrobenzene SCHEMBL1006772 | 0.76 | LMNA (0.76) | CES1CES2TSHRALDH1A1LMNA |
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-2004022534-A1 | ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |