Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL570033 | 0.82 | MEN1 (0.50) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL6073669 | 0.78 | CYP2D6 (0.33) | MEN1GAAKMT2ATDP1CA1 | |
| SCHEMBL3683917 | 0.78 | MEN1 (0.47) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL14721982 | 0.78 | TDP1 (0.50) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL8194926 | 0.78 | MEN1 (0.56) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL5352030 | 0.78 | MEN1 (0.46) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL13960156 | 0.78 | MEN1 (0.46) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL1222350 | 0.78 | TDP1 (0.49) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL16379307 | 0.78 | MEN1 (0.46) | MEN1GAAKMT2ATDP1SYK | |
| SCHEMBL1222348 | 0.78 | TDP1 (0.49) | MEN1GAAKMT2ATDP1SYK |
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 |
|---|---|---|---|---|---|---|---|
| US-6462221-B1 | 3-SUBSTITUTED-3-AMINO-2-HYDROXYPROPANOIC ACID SALT OR 1-NITRO-3-SUBSTITUTE-3-AMINO-2-HYDROXYPROPANOL DIASTEREOMERS OBTAINED FROM SIMULATED MOVING BED SEPARATION | PHARM-ECO LABORATORIES, INC. | 2002-10-08 | — | — | US | disclosed |