Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 3/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL14795351 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| Biphenyl SCHEMBL27994032 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| Biphenyl SCHEMBL2642362 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| Bromobenzene SCHEMBL129999 | 0.84 | ALDH1A1 (0.55) | ALDH1A1MAPK1SMN1; SMN2MGLLFAAH | |
| Biphenyl SCHEMBL27496289 | 0.84 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL28725390 | 0.83 | ALDH1A1 (0.65) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| Morpholine SCHEMBL17065836 | 0.82 | ALDH1A1 (0.58) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25374262 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12367607 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17277082 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105622460-B | (R) synthetic method of N tertbutyloxycarbonyls biphenyl Propanolamine | 浙江大学 | 2017-12-05 | — | — | CN | disclosed |
| CN-105585511-B | (R) preparation method of N tertbutyloxycarbonyls biphenyl Propanolamine | 浙江大学 | 2017-05-31 | — | — | CN | disclosed |
| CN-105622460-A | Synthesis method for (R)-N-t-BOC biphenyl alaninol | UNIV ZHEJIANG | 2016-06-01 | — | — | CN | disclosed |
| CN-105585511-A | Preparation method of (R)-N-t-butyloxycarboryl biphenyl alaninol | UNIV ZHEJIANG | 2016-05-18 | — | — | CN | disclosed |