Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8390559 | 0.86 | GRM6 (0.38) | GRM6KDM4EALDH1A1USP2ADRA2A | |
| SCHEMBL2428317 | 0.83 | GRM6 (0.41) | GRM6KDM4EALDH1A1USP2AR | |
| SCHEMBL1196089 | 0.82 | AR (0.43) | GRM6KDM4EALDH1A1USP2AR | |
| SCHEMBL17570551 | 0.81 | TSHR (0.42) | GRM6KDM4EALDH1A1USP2AR | |
| SCHEMBL1622094 | 0.80 | KDM4E (0.39) | GRM6KDM4EALDH1A1TSHRADRA2A | |
| SCHEMBL15365364 | 0.80 | KDM4E (0.38) | GRM6KDM4EALDH1A1USP2AR | |
| SCHEMBL8387383 | 0.80 | GRM6 (0.34) | GRM6KDM4EALDH1A1ADRA2AADORA2A | |
| SCHEMBL10734596 | 0.79 | KDM4E (0.36) | GRM6KDM4EALDH1A1USP2AR | |
| SCHEMBL8852021 | 0.77 | TSHR (0.44) | GRM6KDM4EALDH1A1ARTSHR | |
| SCHEMBL29398131 | 0.77 | TSHR (0.44) | GRM6KDM4EALDH1A1ARTSHR |
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 8 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 |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| CN-101184760-A | Heterocyclic spiro-compounds | SPEEDEL EXPERIMENTA AG (CH) | 2008-05-21 | — | — | CN | disclosed |
| 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 |