Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL18330594 | 1.00 | NOD1 (0.38) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL18331734 | 0.90 | ALOX5 (0.38) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL18330716 | 0.90 | ALOX5 (0.38) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL18332282 | 0.89 | NOD1 (0.39) | NOD1ALOX5POLBNOD2ALDH1A1 | |
| SCHEMBL18331945 | 0.87 | ALOX5 (0.37) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL10003334 | 0.87 | ALOX5 (0.39) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL10003329 | 0.87 | ALOX5 (0.39) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL18331941 | 0.86 | ALOX5 (0.37) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL18332253 | 0.86 | ALOX5 (0.37) | NOD1ALOX5RAB9ANPC1POLB | |
| SCHEMBL18332262 | 0.86 | NOD2 (0.41) | NOD1ALOX5RAB9ANPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016204261-A1 | AMINOPYRAZOLE DERIVATIVES | 中外製薬株式会社 | 2016-12-22 | — | — | WO | disclosed |