Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.37 |
| ▸ | KDR | P35968 | 12/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 12/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 12/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 12/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 12/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 12/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 12/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL535286 | 0.84 | KDR (0.51) | HDAC3KDRHDAC4HDAC1HDAC7 | |
| SCHEMBL19569149 | 0.66 | KDR (0.56) | HDAC3KDRHDAC4HDAC1HDAC7 | |
| SCHEMBL3957994 | 0.65 | KDR (0.59) | HDAC3KDRHDAC4HDAC1HDAC7 | |
| SCHEMBL1468261 | 0.65 | KDR (0.68) | HDAC3KDRHDAC4HDAC1HDAC7 | |
| SCHEMBL5911582 | 0.64 | KDR (0.69) | HDAC3KDRHDAC4HDAC1HDAC7 | |
| SCHEMBL23142844 | 0.63 | CNR1 (0.53) | — | |
| SCHEMBL26537577 | 0.63 | TRPV1 (0.44) | CA1CA2CYP3A4 | |
| SCHEMBL1467827 | 0.62 | KDR (0.69) | KDR | |
| SCHEMBL21601499 | 0.61 | IDO1 (0.52) | CA1CA2 | |
| SCHEMBL16971361 | 0.61 | IDO1 (0.41) | ANO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633365-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004105765-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-12-09 | — | — | WO | disclosed |