Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | CRHR1 | P34998 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27775579 | 0.85 | CRHR1 (0.46) | CRHR1TRPA1TRPM8HSD11B1 | |
| SCHEMBL27775437 | 0.80 | TSHR (0.44) | ADORA2AALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL3664754 | 0.77 | ESR1 (0.50) | CRHR1ALDH1A1HSD11B1 | |
| SCHEMBL3509022 | 0.77 | ENPP1 (0.43) | CRHR1LMNAGAAPDE2APDE10A | |
| SCHEMBL3506710 | 0.75 | ADORA2A (0.48) | ADORA2ASMN1; SMN2HPGDKDM4EPGR | |
| SCHEMBL27673874 | 0.73 | NR1H2 (0.55) | — | |
| SCHEMBL23497072 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL29829159 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL2451399 | 0.71 | ESR1 (0.42) | CRHR1ALDH1A1PDE2APDE10AHSD11B1 | |
| SCHEMBL28096992 | 0.70 | ADORA2A (0.51) | ADORA2AALDH1A1SMN1; SMN2HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679311-A | Quinazoline compound | WYETH CORP | 2010-03-24 | — | — | CN | disclosed |