Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL23925910 | 0.87 | CYP1A2 (0.38) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL23925818 | 0.81 | KDM4E (0.34) | KDM4EALDH1A1HPGDHSD17B10GLA | |
| SCHEMBL23925703 | 0.78 | KDM4E (0.37) | KDM4EALDH1A1HPGDAKR1B1 | |
| SCHEMBL23926093 | 0.75 | AKR1B1 (0.39) | KDM4EALDH1A1HPGDAKR1B1 | |
| SCHEMBL23925705 | 0.75 | AKR1B1 (0.40) | KDM4EALDH1A1HPGDAKR1B1 | |
| SCHEMBL23925921 | 0.70 | CA12 (0.41) | NPSR1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL2059392 | 0.68 | EGFR (0.55) | NPSR1GAAEGFRNPC1RAB9A | |
| SCHEMBL23925952 | 0.68 | NPSR1 (0.57) | NPSR1RXRARXRBRXRG | |
| SCHEMBL23926010 | 0.66 | AKR1B1 (0.39) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL6836815 | 0.66 | HDAC1 (0.37) | KDM4EALDH1A1HPGDTSHRAKR1B1 |
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 |