Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 SCHEMBL28179367 | 0.90 | MAOA (0.48) | KMT2AMEN1MAOAMAOBRAB9A | |
| 3-Chloroaniline SCHEMBL28293455 | 0.80 | ALDH1A1 (0.59) | KMT2AMEN1RAB9ASMN1; SMN2LMNA | |
| 4-Chloroaniline SCHEMBL27680763 | 0.79 | MAOA (0.39) | KMT2AMEN1MAOAMAOBRAB9A | |
| Pyridine SCHEMBL28634399 | 0.78 | MAPT (0.61) | KMT2AMEN1MAOAMAOBRAB9A | |
| Pyridine SCHEMBL22721353 | 0.77 | PARP10 (0.53) | SMN1; SMN2TSHRMAPTCYP3A4 | |
| Aminobenzoic Acid SCHEMBL5874881 | 0.76 | NAPRT (0.58) | KMT2AMEN1MAPK1CES2CES1 | |
| Pyridine SCHEMBL1070164 | 0.76 | NAPRT (0.60) | KMT2AMEN1RAB9ALMNATSHR | |
| 4-Chloroaniline SCHEMBL7836943 | 0.74 | MEN1 (0.52) | KMT2AMEN1MAOAMAOBRAB9A | |
| Pyridine SCHEMBL8677835 | 0.74 | CES2 (0.50) | KMT2AMEN1RAB9AMAPK1NT5E | |
| Dalfampridine SCHEMBL27592753 | 0.74 | MAPT (0.72) | KMT2AMEN1MAPK1SMN1; SMN2LMNA |
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-B | One kind 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 | 2019-06-11 | — | — | CN | disclosed |