Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | FOS | P01100 | 2/20 | 0.34 |
| ▸ | JUN | P05412 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | PKM | P14618 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6982940 | 0.84 | DGAT1 (0.41) | DGAT1FOSJUNNFKB1NFKB2 | |
| SCHEMBL18198247 | 0.77 | CYP2C9 (0.50) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL1641519 | 0.67 | ALDH1A1 (0.47) | MAPTRAB9AALDH1A1MEN1GAA | |
| SCHEMBL9041640 | 0.67 | ALDH1A1 (0.47) | MAPTRAB9AALDH1A1MEN1GAA | |
| SCHEMBL186656 | 0.67 | ALDH1A1 (0.52) | MAPTCYP2C9CYP2C19RAB9AALDH1A1 | |
| SCHEMBL14095724 | 0.67 | KMT2A (0.37) | MAPTGAAKMT2A | |
| SCHEMBL27922085 | 0.67 | KMT2A (0.42) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL4129784 | 0.67 | MAPK1 (0.52) | NFKB1NFKB2RELAMAPTCA12 | |
| SCHEMBL2937160 | 0.67 | — | — | |
| SCHEMBL17101820 | 0.65 | NNMT (0.45) | — |
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-5250548-A | Treating hypertension, heart failure | ABBOTT LABORATORIES (US) | 1993-10-05 | — | — | US | disclosed |