Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29846523 | 0.78 | CTSK (0.33) | CA12CA1CA7CA14CTSK | |
| SCHEMBL30466431 | 0.77 | CYP1A2 (0.38) | MAPTKMT2ARECQL | |
| SCHEMBL30295973 | 0.77 | CYP1A2 (0.38) | MAPTKMT2ARECQL | |
| SCHEMBL27274232 | 0.76 | ACLY (0.32) | — | |
| SCHEMBL27197698 | 0.76 | — | — | |
| SCHEMBL27640595 | 0.75 | NOS1 (0.33) | CA1CA7HDAC6CTSK | |
| SCHEMBL28785782 | 0.75 | TET2 (0.32) | ALDH1A1 | |
| SCHEMBL15483114 | 0.75 | DGAT1 (0.34) | HDAC6DGAT1MIFCTSK | |
| SCHEMBL29091707 | 0.75 | DGAT1 (0.34) | HDAC6DGAT1MIFCTSK | |
| SCHEMBL13183768 | 0.75 | DGAT1 (0.34) | HDAC6DGAT1MIFCTSK |
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-2023091438-A1 | CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | WO | disclosed |