Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6338346 | 0.98 | POLB (0.46) | POLBALDH1A1RIPK1TDP1L3MBTL1 | |
| SCHEMBL5913900 | 0.80 | HPGD (0.49) | ALDH1A1RIPK1CDK5TAOK1CLK4 | |
| SCHEMBL8061739 | 0.78 | TSHR (0.52) | RIPK1CDK5TAOK1CLK4RAB9A | |
| SCHEMBL2778215 | 0.78 | RIPK1 (0.46) | POLBALDH1A1RIPK1L3MBTL1AR | |
| SCHEMBL18708227 | 0.77 | RIPK1 (0.45) | POLBALDH1A1RIPK1CDK5TAOK1 | |
| SCHEMBL394807 | 0.77 | RIPK1 (0.65) | ALDH1A1RIPK1NPC1RAB9AMAPT | |
| SCHEMBL1328998 | 0.77 | CYP1A2 (0.46) | POLBALDH1A1RIPK1CDK5TAOK1 | |
| SCHEMBL8607502 | 0.75 | AKR1B1 (0.47) | RIPK1TDP1HDAC1HDAC6MAPT | |
| SCHEMBL2382796 | 0.75 | HTT (0.49) | ALDH1A1RIPK1L3MBTL1GAAHTT | |
| SCHEMBL6380046 | 0.74 | MEN1 (0.57) | TDP1GAAMAPTMTNR1AMTNR1B |
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-100340559-C | Nitrogen containing heterobicycles as factor XA inhibitors | DU PONT PHARM CO (US) | 2007-10-03 | — | — | CN | disclosed |