Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26306459 | 1.00 | TAAR1 (0.52) | TAAR1ALOX5MAOBCYP1A2ESR2 | |
| SCHEMBL15713960 | 0.93 | TAAR1 (0.44) | TAAR1ALOX5MAOBCYP1A2ESR2 | |
| SCHEMBL20872019 | 0.92 | CYP1A2 (0.46) | TAAR1ALOX5MAOBCYP1A2ESR2 | |
| SCHEMBL9581080 | 0.92 | CYP1A2 (0.46) | TAAR1ALOX5MAOBCYP1A2ESR2 | |
| SCHEMBL16858263 | 0.92 | CYP1A2 (0.46) | TAAR1ALOX5MAOBCYP1A2ESR2 | |
| SCHEMBL12533861 | 0.92 | CYP1A2 (0.46) | TAAR1ALOX5MAOBCYP1A2ESR2 | |
| SCHEMBL19801911 | 0.91 | CYP1A2 (0.45) | TAAR1ALOX5MAOBCYP1A2NPC1 | |
| SCHEMBL20872026 | 0.90 | NPC1 (0.46) | TAAR1ALOX5MAOBESR2NPC1 | |
| SCHEMBL20964252 | 0.90 | NPC1 (0.46) | TAAR1ALOX5MAOBESR2NPC1 | |
| SCHEMBL512533 | 0.90 | MAPT (0.44) | TAAR1ALOX5MAOBCYP1A2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210126204-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE | SAMSUNG SDI CO., LTD. (KR) | 2021-04-29 | — | — | US | disclosed |