Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10005545 | 0.81 | KDM4E (0.36) | NR4A1MAPTMEN1HPGDKMT2A | |
| SCHEMBL470990 | 0.80 | NOS3 (0.38) | NR4A1SMN1; SMN2SCN9AALDH1A1DRD1 | |
| SCHEMBL13211386 | 0.79 | NR4A1 (0.54) | NR4A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL470989 | 0.78 | DRD1 (0.46) | SMN1; SMN2SCN9ADRD1 | |
| SCHEMBL470986 | 0.78 | DRD1 (0.45) | NR4A1ALDH1A1DRD1 | |
| SCHEMBL10005546 | 0.76 | DRD1 (0.33) | MAPTSMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL12273892 | 0.75 | NR4A1 (0.42) | NR4A1MAPTMEN1HPGDKMT2A | |
| SCHEMBL10005547 | 0.75 | F10 (0.40) | MAPTMEN1HPGDKMT2ASMN1; SMN2 | |
| SCHEMBL471003 | 0.74 | TRPA1 (0.34) | NR4A1 | |
| Hydrochloric Acid SCHEMBL12273007 | 0.74 | NR4A1 (0.41) | NR4A1MAPTMEN1HPGDKMT2A |
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-2012033091-A1 | PROCESS FOR PREPARING BENZOIC ACID ESTERS | 第一三共株式会社 (JP) | 2012-03-15 | — | — | WO | disclosed |
| WO-2010101164-A1 | PYRIDINE DERIVATIVE | 第一三共株式会社 (JP) | 2010-09-10 | — | — | WO | disclosed |