Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5093139 | 1.00 | KMT2A (0.45) | KMT2AMAPTCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5096573 | 0.91 | EPHX2 (0.42) | KMT2AALDH1A1EPHX2CTSKMEN1 | |
| SCHEMBL5092584 | 0.91 | CTSK (0.47) | KMT2AALDH1A1TDP1EPHX2CTSK | |
| SCHEMBL5099202 | 0.91 | KMT2A (0.43) | KMT2AMAPTCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL4766701 | 0.90 | MEN1 (0.43) | KMT2ACTSKGAAMEN1 | |
| SCHEMBL7427478 | 0.90 | MEN1 (0.43) | KMT2ACTSKGAAMEN1 | |
| SCHEMBL5096578 | 0.89 | POLB (0.48) | KMT2AMAPTALDH1A1PKMCTSK | |
| SCHEMBL6628532 | 0.86 | CTSK (0.43) | KMT2AALDH1A1TDP1CTSKGAA | |
| SCHEMBL7432025 | 0.86 | ALDH1A1 (0.45) | KMT2AALDH1A1EPHX2L3MBTL1CTSK | |
| SCHEMBL7434831 | 0.83 | KMT2A (0.48) | KMT2AMAPTCYP3A4CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | claimed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | claimed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | claimed |