Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.51 |
| ▸ | GUSB | P08236 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5696167 | 0.83 | DHFR (0.57) | DHFRGUSBSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL29357488 | 0.76 | DHFR (0.54) | DHFRGUSBGAAALDH1A1KMT2A | |
| SCHEMBL5696233 | 0.76 | DHFR (0.54) | DHFRGUSBGAAALDH1A1KMT2A | |
| SCHEMBL2829390 | 0.74 | HTR2C (0.54) | DHFRGAANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5176445 | 0.73 | DHFR (0.51) | DHFRGUSBALDH1A1MAPTKIF11 | |
| SCHEMBL9701173 | 0.71 | DHFR (0.62) | DHFRGUSBGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL5696249 | 0.70 | DHFR (0.51) | DHFRGUSBSMN1; SMN2ALDH1A1KIF11 | |
| SCHEMBL5696173 | 0.69 | DHFR (0.50) | DHFRGUSBSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL29857451 | 0.69 | DHFR (0.50) | DHFRGUSBGAAKMT2AMEN1 | |
| SCHEMBL5696188 | 0.69 | DHFR (0.50) | DHFRGUSBGAAKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1655289-A1 | Quinazoline derivatives, process for their preparation, their use as antimitotics and pharmaceutical compositions comprising said derivatives | EMBL (DE) | 2006-05-10 | — | — | EP | disclosed |