Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 5/20 | 0.35 |
| ▸ | MMP9 | P14780 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL22014330 | 0.89 | GAA (0.39) | L3MBTL1ALDH1A1ATMTDP1ADAMTS4 | |
| SCHEMBL22014456 | 0.85 | OPRK1 (0.46) | OPRK1OPRM1ALDH1A1MMP1GAA | |
| SCHEMBL22014453 | 0.82 | OPRK1 (0.38) | OPRK1OPRM1ATMKMT2A | |
| SCHEMBL22014469 | 0.81 | CA2 (0.44) | OPRK1OPRM1L3MBTL1GAA | |
| SCHEMBL22014463 | 0.80 | OPRK1 (0.44) | OPRK1OPRM1ALDH1A1 | |
| SCHEMBL22014497 | 0.79 | PTPN1 (0.44) | OPRK1OPRM1 | |
| SCHEMBL24672619 | 0.79 | HDAC8 (0.41) | OPRK1OPRM1ALDH1A1ATMKMT2A | |
| SCHEMBL22014501 | 0.75 | PTPN1 (0.60) | OPRK1OPRM1L3MBTL1 | |
| SCHEMBL24672914 | 0.73 | POLB (0.44) | OPRK1OPRM1TDP1MEN1KMT2A | |
| SCHEMBL22014322 | 0.73 | OPRK1 (0.42) | OPRK1OPRM1ALDH1A1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102820-A1 | COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-05-22 | — | — | WO | disclosed |