Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 6/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL283999 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL284665 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL668699 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL283748 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL283820 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2947334 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL283373 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL284260 | 0.78 | ESR1 (0.47) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL284042 | 0.74 | ESR1 (0.51) | NAAAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL283613 | 0.74 | ESR1 (0.51) | NAAAKDM4EALDH1A1HPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021211982-A2 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2021-10-21 | — | — | WO | claimed |
| WO-2021211982-A2 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2021-10-21 | — | — | WO | disclosed |