Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.50 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL30956704 | 0.86 | KDM4E (0.44) | MAP2K1MAP2K2KDM4EHSD17B10CES2 | |
| SCHEMBL20819607 | 0.86 | KDM4E (0.44) | MAP2K1MAP2K2KDM4EHSD17B10CES2 | |
| SCHEMBL29181923 | 0.83 | RXFP1 (0.39) | MAP2K1MAP2K2KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL28091550 | 0.79 | KDM4E (0.40) | MAP2K1MAP2K2KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL16075172 | 0.78 | ALDH1A1 (0.47) | HSD17B10CES2CES1SMN1; SMN2NAPRT | |
| SCHEMBL2892368 | 0.78 | MAOA (0.42) | KDM4EHSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22642784 | 0.76 | HDAC1 (0.48) | SMN1; SMN2MEN1KMT2AALDH1A1HDAC1 | |
| SCHEMBL21807214 | 0.76 | RXFP1 (0.42) | HSD17B10CES2CES1SMN1; SMN2NAPRT | |
| SCHEMBL670931 | 0.76 | KDM4E (0.45) | MAP2K1KDM4EHSD17B10SMN1; SMN2MEN1 | |
| SCHEMBL7554525 | 0.76 | MAP2K1 (0.48) | MAP2K1MAP2K2KDM4EHSD17B10CES2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998011438-A1 | SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF | TREGA BIOSCIENCES, INC. (US) | 1998-03-19 | — | — | WO | disclosed |