Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3562093 | 0.84 | ALDH1A1 (0.69) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL15323836 | 0.83 | GAA (0.72) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL16540351 | 0.82 | GPR17 (0.69) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL20935015 | 0.82 | GPR17 (0.54) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL15141741 | 0.82 | HTR2A (0.65) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL15142475 | 0.82 | GPR84 (0.61) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL31036403 | 0.82 | GPR84 (0.61) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL4229463 | 0.81 | HTR2C (0.49) | GAAKDM4EMEN1ALDH1A1POLB | |
| SCHEMBL7917193 | 0.81 | GPR17 (0.56) | GPR17GAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL18509792 | 0.79 | PTGER1 (0.51) | GPR17GAAKDM4EMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2016134145-A9 | ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2017-02-16 | — | — | WO | disclosed |