Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.76 |
| ▸ | NR1H2 | P55055 | 7/20 | 0.65 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.65 |
| ▸ | HPGDS | O60760 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1528343 | 0.87 | ADORA2A (0.77) | ADORA2ANR1H2NR1H3NPC1RAB9A | |
| SCHEMBL1528413 | 0.86 | ADORA2A (1.00) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL12171144 | 0.84 | ADORA2A (0.59) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL27803661 | 0.79 | NR1H2 (0.51) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL646494 | 0.79 | NR1H2 (0.76) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL28148107 | 0.79 | NR1H2 (0.65) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL666693 | 0.79 | NR1H2 (1.00) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL6561348 | 0.79 | NR1H2 (0.59) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL1071190 | 0.77 | NR1H2 (0.96) | ADORA2ANR1H2NR1H3HPGDSNPC1 | |
| SCHEMBL17574086 | 0.77 | NR1H2 (0.96) | ADORA2ANR1H2NR1H3HPGDSNPC1 |
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-1071670-B1 | NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-07-07 | — | — | EP | disclosed |
| US-6255327-B1 | ANTIHYPOXC, ANTIISCHEMIC AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-07-03 | — | — | US | disclosed |
| EP-1071670-A1 | NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM KG (DE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054314-A1 | NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |