Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | GOT1 | P17174 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.34 |
| ▸ | ACOX1 | Q15067 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2407872 | 0.84 | ALDH1A1 (0.60) | KDM4EALDH1A1TP53CYP3A4GOT1 | |
| SCHEMBL29350993 | 0.84 | ALDH1A1 (0.60) | KDM4EALDH1A1TP53CYP3A4GOT1 | |
| SCHEMBL18099780 | 0.82 | CLK1 (0.46) | KDM4ECYP3A4LMNACYP1A2CYP2D6 | |
| SCHEMBL18099790 | 0.82 | IMPDH2 (0.48) | KDM4EALDH1A1CYP3A4LMNACYP1A2 | |
| SCHEMBL22045540 | 0.80 | HPRT1 (0.64) | KDM4EALDH1A1TP53CYP3A4GOT1 | |
| SCHEMBL8404449 | 0.78 | TSHR (0.50) | KDM4EALDH1A1CYP3A4LMNACYP1A2 | |
| SCHEMBL22044866 | 0.76 | PKM (0.38) | CYP3A4PKMGPR3 | |
| SCHEMBL9618221 | 0.76 | CYP2A6 (0.48) | CYP3A4CYP1A2MAOAIMPDH2CYP2A6 | |
| SCHEMBL30539248 | 0.73 | CLK1 (0.33) | KDM4E | |
| SCHEMBL22045622 | 0.72 | CLK1 (0.39) | KDM4ETP53CYP3A4SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-3052506-B1 | AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES | FLEXENABLE LTD (GB) | 2020-06-03 | — | — | EP | disclosed |