Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 4-Chloroaniline SCHEMBL28295247 | 0.90 | KMT2A (0.42) | MAOAMAOBMEN1KMT2ATSHR | |
| 4-Chloroaniline SCHEMBL27680763 | 0.88 | MAOA (0.39) | MAOAMAOBMEN1KMT2ATSHR | |
| Pyridine SCHEMBL28634399 | 0.87 | MAPT (0.61) | MAOAMAOBMEN1KMT2ATSHR | |
| Benzidine SCHEMBL28084578 | 0.80 | CYP3A4 (0.62) | MEN1KMT2ATSHRALDH1A1LMNA | |
| Aniline SCHEMBL1227077 | 0.79 | TSHR (0.65) | MAOAMAOBMEN1KMT2ATSHR | |
| Chlorobenzene SCHEMBL8412249 | 0.79 | TSHR (0.65) | TSHRLMNATDP1NAPRTCYP19A1 | |
| Dalfampridine SCHEMBL29046212 | 0.79 | MAPT (0.77) | MEN1KMT2ATSHRALDH1A1LMNA | |
| 4-Chloroaniline SCHEMBL27475886 | 0.79 | MAOA (0.68) | MAOAMAOBMEN1KMT2ATSHR | |
| 4-Chloroaniline SCHEMBL16922177 | 0.79 | — | — | |
| 4-Chloroaniline SCHEMBL27544 | 0.79 | — | — |
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-107216411-A | A kind of quaternary ammonium salt of Acetylated Chitosans containing ureas and its preparation method and application | 中国科学院烟台海岸带研究所 | 2017-09-29 | — | — | CN | disclosed |