Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6050733 | 0.80 | CA2 (0.64) | PTGS2 | |
| SCHEMBL17006477 | 0.73 | ACHE (0.53) | ACHETDP1ADORA3MAOBNPC1 | |
| SCHEMBL3973867 | 0.72 | ESR1 (0.56) | ESR1ALOX15ALOX12NOTUMESR2 | |
| SCHEMBL27999044 | 0.72 | ESR1 (1.00) | ESR1TDP1MAOBALOX15ALOX12 | |
| SCHEMBL31190110 | 0.72 | CA12 (0.52) | ESR1ACHEENPP3ESR2SMN1; SMN2 | |
| SCHEMBL197731 | 0.71 | ACHE (0.73) | ACHETDP1ENPP3ENPP1ALOX15 | |
| SCHEMBL3287696 | 0.71 | ACHE (0.73) | ACHETDP1ENPP3ENPP1ALOX15 | |
| SCHEMBL18661495 | 0.71 | ACHE (0.73) | ACHETDP1ENPP3ENPP1ALOX15 | |
| SCHEMBL8036362 | 0.71 | LMNA (0.50) | ACHETDP1ALOX12NPC1POLB | |
| SCHEMBL10615231 | 0.71 | ESR1 (0.55) | ESR1NPC1HPGDRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |