Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414279 | 0.96 | KDM4A (0.36) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL21546791 | 0.95 | CYP1A2 (0.39) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL21546789 | 0.93 | ALDH1A1 (0.39) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL21546721 | 0.93 | ADORA2A (0.36) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL21414280 | 0.91 | KDM4A (0.39) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL22760924 | 0.91 | SYK (0.37) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL21546840 | 0.91 | ADORA2A (0.37) | ALDH1A3ADORA2AADORA1ADORA2BGRIA2 | |
| SCHEMBL19919668 | 0.89 | ADORA2A (0.38) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL21546819 | 0.89 | GRIA2 (0.39) | ALDH1A1CYP1A2LMNACYP2C9TSHR | |
| SCHEMBL22761058 | 0.89 | CYP1A2 (0.41) | ALDH1A1CYP1A2LMNACYP2C9TSHR |
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-3478793-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-11-06 | — | — | EP | disclosed |