Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | FOS | P01100 | 1/20 | 0.31 |
| ▸ | JUN | P05412 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | PKM | P14618 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9591348 | 0.84 | DGAT1 (0.39) | DGAT1CA12CA1CA2CA9 | |
| SCHEMBL14683910 | 0.75 | DGAT1 (0.41) | DGAT1CA12CA1CA2CA9 | |
| SCHEMBL2642000 | 0.75 | CYP2C9 (0.53) | CA12CA1CA2CA9MAPT | |
| SCHEMBL9684348 | 0.73 | RAB9A (0.37) | MAPTRAB9AFOSJUNNFKB1 | |
| SCHEMBL2022922 | 0.72 | CSNK1D (0.38) | MAPTRAB9ACDC7DBF4FOS | |
| SCHEMBL243274 | 0.71 | ALDH1A1 (0.43) | DGAT1MAPTRAB9AFOSJUN | |
| SCHEMBL4717515 | 0.71 | LMNA (0.44) | MAPTCYP2C9CYP2C19RAB9ANFKB1 | |
| SCHEMBL7456789 | 0.71 | PDK2 (0.32) | MAPTFOSJUNNFKB1NFKB2 | |
| SCHEMBL8399261 | 0.71 | NFKB1 (0.36) | MAPTRAB9AFOSJUNNFKB1 | |
| SCHEMBL6621732 | 0.71 | NFKB1 (0.35) | MAPTCYP2C9CYP2C19RAB9AFOS |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117430591-A | Synthesis method of avanafil | 康普药业股份有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-106279044-B | Pyrimidine hydroxamic acid derivative and preparation method and application thereof | 厦门市博瑞来医药科技有限公司 | 2021-02-19 | — | — | CN | disclosed |
| EP-1093367-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-1093367-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-25 | — | — | EP | disclosed |
| WO-1999066925-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-29 | — | — | WO | disclosed |