Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29248267 | 0.88 | ADORA2A (0.35) | — | |
| SCHEMBL16058080 | 0.85 | ALOX5 (0.42) | TSHRNPC1RAB9A | |
| SCHEMBL435279 | 0.82 | CYP1A2 (0.38) | L3MBTL1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL10936903 | 0.77 | ESR2 (0.33) | CYP1A2TSHRGAARXRARXRB | |
| SCHEMBL9649078 | 0.77 | TSHR (0.31) | TSHRRXRARXRB | |
| SCHEMBL3607306 | 0.75 | ALDH1A1 (0.35) | L3MBTL1ALDH1A1NPC1RAB9A | |
| SCHEMBL28357115 | 0.75 | ADORA2A (0.46) | — | |
| SCHEMBL433087 | 0.74 | EGLN2 (0.37) | CYP2C9 | |
| SCHEMBL17514939 | 0.74 | CYP1A1 (0.46) | L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28357088 | 0.74 | ADORA2A (0.34) | NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | claimed |
| CN-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | disclosed |