Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16982382 | 0.81 | CNR2 (0.54) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL6304261 | 0.75 | KDM4E (0.45) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL6302525 | 0.75 | CNR2 (0.48) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL29820590 | 0.75 | PARP1 (0.52) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL6305637 | 0.74 | CNR2 (0.48) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL15327919 | 0.73 | SMN1; SMN2 (0.54) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL6304721 | 0.72 | KDM4E (0.47) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL6302792 | 0.72 | KDM4E (0.47) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| SCHEMBL1522903 | 0.71 | CNR2 (0.57) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 | |
| Hydrochloric Acid SCHEMBL11537392 | 0.70 | CNR2 (0.56) | ALDH1A1KDM4ESMN1; SMN2CNR2CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299369-A1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2018-03-28 | — | — | EP | disclosed |