Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 4/20 | 0.55 |
| ▸ | MMP9 | P14780 | 4/20 | 0.55 |
| ▸ | MMP8 | P22894 | 4/20 | 0.55 |
| ▸ | MMP13 | P45452 | 3/20 | 0.55 |
| ▸ | COMT | P21964 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31592975 | 0.79 | MMP2 (0.64) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL7913073 | 0.78 | NPC1 (0.48) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL30726447 | 0.77 | MMP2 (0.62) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL7913085 | 0.77 | VCP (0.46) | KDM4EALDH1A1KMT2AMEN1POLB | |
| SCHEMBL7905830 | 0.76 | SIRT2 (0.48) | KDM4EALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL28917234 | 0.75 | KDM4E (0.64) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL27039896 | 0.74 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL31592814 | 0.74 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL3417301 | 0.74 | NPC1 (0.78) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL31063849 | 0.73 | ALDH1A1 (1.00) | KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6211220-B1 | ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS | CELL PATHWAYS, INC. | 2001-04-03 | — | — | US | claimed |
| US-6211220-B1 | ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS | CELL PATHWAYS, INC. | 2001-04-03 | — | — | US | disclosed |
| WO-1994029277-A1 | AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-22 | — | — | WO | disclosed |