Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9823173 | 0.90 | CTNNB1 (0.36) | SMN1; SMN2MEN1KMT2APOLBTSHR | |
| SCHEMBL9823085 | 0.90 | MMP13 (0.41) | DHFRGSK3BSMN1; SMN2MEN1KMT2A | |
| SCHEMBL9823458 | 0.88 | TYMS (0.33) | SMN1; SMN2MEN1KMT2APOLBTSHR | |
| SCHEMBL9823096 | 0.87 | DHFR (0.38) | DHFRSMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL9823232 | 0.87 | MEN1 (0.36) | SMN1; SMN2MEN1KMT2APOLBTSHR | |
| SCHEMBL9823234 | 0.86 | TYMS (0.33) | DHFRSMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL9823207 | 0.86 | DHFR (0.41) | DHFRSMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL9823362 | 0.86 | TYMS (0.33) | SMN1; SMN2MEN1KMT2APOLBTSHR | |
| SCHEMBL9823281 | 0.83 | DHFR (0.56) | DHFRTYMS | |
| SCHEMBL9823140 | 0.78 | SLC2A1 (0.57) | DHFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0426666-A1 | SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-05-15 | — | — | EP | disclosed |
| US-4857530-A | THYMIDYLATE SYNTHASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1989-08-15 | — | — | US | disclosed |
| EP-0316657-A1 | Substituted quinazolinones as anticancer agents | WARNER-LAMBERT COMPANY (US) | 1989-05-24 | — | — | EP | disclosed |
| WO-1989004307-A1 | SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1989-05-18 | — | — | WO | disclosed |