Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9314099 | 0.82 | KDM4E (0.66) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL1187744 | 0.82 | KDM4E (0.80) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL31098995 | 0.82 | KDM4E (0.65) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL11712509 | 0.82 | KDM4E (0.65) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL20867956 | 0.82 | KDM4E (0.61) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL8694650 | 0.80 | KDM4E (0.62) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL1577669 | 0.79 | ALDH1A1 (0.63) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL8696930 | 0.78 | TP53 (0.60) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL8697731 | 0.77 | RAD52 (0.63) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A | |
| SCHEMBL22545323 | 0.77 | KDM4E (0.59) | KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954692-A1 | METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH OXAZOLINE QUATERNARY AMMONIUM SALT AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-02-16 | — | — | EP | disclosed |
| CN-1332942-C | Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-22 | — | — | CN | disclosed |
| CN-1703397-A | Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2005-11-30 | — | — | CN | disclosed |