Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | GRM6 | O15303 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 1/20 | 0.34 |
| ▸ | PRKACB | P22694 | 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 | |
|---|---|---|---|---|
| SCHEMBL10984237 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10HTTADRA2A | |
| SCHEMBL3561080 | 0.78 | PRKACA (0.42) | ALDH1A1KDM4EHSD17B10ADORA2ATSHR | |
| SCHEMBL1622094 | 0.78 | KDM4E (0.39) | ALDH1A1KDM4EHSD17B10HTTADRA2A | |
| SCHEMBL10120883 | 0.78 | HSD17B10 (0.39) | ALDH1A1KDM4EHSD17B10HTTTSHR | |
| SCHEMBL11339660 | 0.77 | TRPV4 (0.41) | ALDH1A1KDM4EGRM6TSHRHPGD | |
| SCHEMBL9575173 | 0.77 | GRM6 (0.41) | ALDH1A1KDM4EHSD17B10HTTADRA2A | |
| SCHEMBL12968329 | 0.75 | PRKACA (0.34) | ALDH1A1KDM4EHSD17B10ADORA2ATSHR | |
| SCHEMBL6379593 | 0.75 | GRM6 (0.36) | ALDH1A1KDM4EHSD17B10HTTADRA2A | |
| SCHEMBL8388503 | 0.75 | GRM6 (0.36) | ALDH1A1KDM4EHSD17B10HTTADRA2A | |
| SCHEMBL12099338 | 0.75 | GAA (0.37) | ALDH1A1KDM4EHSD17B10HTTADRA2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253396-B1 | PROCESS FOR PREPARING 5,6-SUBSTITUTED-2,4-QUINAZOLINEDIAMINES AND INTERMEDIATES | WARNER-LAMBERT COMPANY (US) | 1993-03-17 | — | — | EP | claimed |
| EP-0253396-A2 | Process for preparing 5,6-substituted-2,4-quinazolinediamines and intermediates | WARNER-LAMBERT COMPANY (US) | 1988-01-20 | — | — | EP | claimed |
| US-4677219-A | Substituted benzonitriles | WARNER-LAMBERT COMPANY (US) | 1987-06-30 | — | — | US | claimed |
| EP-0253396-B1 | PROCESS FOR PREPARING 5,6-SUBSTITUTED-2,4-QUINAZOLINEDIAMINES AND INTERMEDIATES | WARNER-LAMBERT COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0253396-A2 | Process for preparing 5,6-substituted-2,4-quinazolinediamines and intermediates | WARNER-LAMBERT COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |
| US-4677219-A | Substituted benzonitriles | WARNER-LAMBERT COMPANY (US) | 1987-06-30 | — | — | US | disclosed |