Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28784154 | 0.84 | P2RX4 (0.53) | BCHEP2RX4SCN5ASCN9AMEN1 | |
| SCHEMBL29843231 | 0.81 | ADORA1 (0.43) | BCHEP2RX4MEN1KMT2A | |
| SCHEMBL27739868 | 0.78 | BCHE (0.48) | BCHEKDM1AHDAC1HDAC6P2RX4 | |
| SCHEMBL7029078 | 0.77 | P2RX4 (0.40) | P2RX4SCN5ASCN9AMAPK1 | |
| SCHEMBL30081007 | 0.77 | P2RX4 (0.40) | P2RX4SCN5ASCN9AMAPK1 | |
| SCHEMBL5560408 | 0.75 | BCHE (0.46) | BCHEKDM1AHDAC1HDAC6P2RX4 | |
| SCHEMBL29380399 | 0.75 | BCHE (0.46) | BCHEKDM1AHDAC1HDAC6P2RX4 | |
| SCHEMBL28223433 | 0.75 | LMNA (0.49) | BCHEP2RX4SCN5ASCN9AMAPK1 | |
| SCHEMBL28222695 | 0.75 | P2RX4 (0.52) | P2RX4MEN1KMT2AMAPK1 | |
| SCHEMBL28860614 | 0.73 | P2RX4 (0.49) | P2RX4MEN1KMT2AMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101580505-B | Derivatives of pyrrolo[2,1-b]quinazoline natural products, preparation method and application thereof | UNIV SHENYANG PHARMACEUTICAL | 2014-09-10 | — | — | CN | disclosed |
| CN-101580505-A | Derivatives of pyrrolo[2,1-b]quinazoline natural products, preparation method and application thereof | UNIV SHENYANG PHARMACEUTICAL (CN) | 2009-11-18 | — | — | CN | disclosed |
| EP-1289993-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001094351-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-12-13 | — | — | WO | disclosed |