Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL16610342 | 0.78 | TRPV1 (0.42) | ALDH1A1HPGDGAASMN1; SMN2BACE1 | |
| SCHEMBL10995917 | 0.73 | MAOB (0.53) | ALDH1A1HPGDGAAMAOBSMN1; SMN2 | |
| SCHEMBL10995923 | 0.73 | MAOB (0.53) | ALDH1A1HPGDGAAMAOBSMN1; SMN2 | |
| SCHEMBL28013349 | 0.70 | MAOB (0.44) | HPGDMAOBSMN1; SMN2MAOABACE1 | |
| SCHEMBL31482403 | 0.65 | MAOB (0.72) | ALDH1A1GAAMAOBSMN1; SMN2PKM | |
| SCHEMBL10996758 | 0.64 | MAOB (0.55) | ALDH1A1HPGDGAAMAOBSMN1; SMN2 | |
| SCHEMBL10996761 | 0.64 | MAOB (0.55) | ALDH1A1HPGDGAAMAOBSMN1; SMN2 | |
| SCHEMBL24305554 | 0.64 | MAOA (0.55) | MAOBMAOABACE1 | |
| SCHEMBL29470169 | 0.64 | MAOA (0.55) | MAOBMAOABACE1 | |
| SCHEMBL28505639 | 0.63 | MAOB (0.58) | ALDH1A1HPGDMAOBMAOABACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104513172-A | Trifluoromethyl-containing amide alkaloids, and preparation method and drug use thereof | TASLY PHARMACEUTICAL GROUP CO | 2015-04-15 | — | — | CN | claimed |
| CN-104513172-A | Trifluoromethyl-containing amide alkaloids, and preparation method and drug use thereof | TASLY PHARMACEUTICAL GROUP CO | 2015-04-15 | — | — | CN | disclosed |