Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL34468957 | 0.95 | ALDH1A1 (0.45) | ALDH1A1AKR1C3HPGDCYP1A2CYP3A4 | |
| SCHEMBL18083933 | 0.76 | ROCK2 (0.54) | ALDH1A1ROCK2 | |
| SCHEMBL22324839 | 0.75 | ROCK2 (0.42) | ALDH1A1AKR1C3HPGDHRH3LMNA | |
| SCHEMBL34468692 | 0.75 | PTGS2 (0.44) | F10 | |
| SCHEMBL22324890 | 0.74 | SMN1; SMN2 (0.48) | ALDH1A1AKR1C3HPGDHRH3LMNA | |
| SCHEMBL23121074 | 0.74 | CRBN (0.56) | ALDH1A1HPGDROCK2GAA | |
| Hydrochloric Acid SCHEMBL22325037 | 0.74 | SMN1; SMN2 (0.47) | ALDH1A1AKR1C3HPGDHRH3LMNA | |
| SCHEMBL8334065 | 0.71 | AKR1C3 (0.44) | ALDH1A1AKR1C3HPGDBRD9CYP1A2 | |
| SCHEMBL11922651 | 0.71 | CHKA (0.41) | ALDH1A1HRH3LMNAROCK2L3MBTL1 | |
| SCHEMBL31093317 | 0.70 | AKR1C3 (0.43) | ALDH1A1AKR1C3HPGDBRD9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3886988-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020112700-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |