Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.66 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.66 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12727410 | 0.80 | GABBR2 (0.48) | GABBR2GABBR1F2DAOMEN1 | |
| 4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid SCHEMBL342009 | 0.79 | GABBR2 (1.00) | GABBR2GABBR1F2DAOCYP2C9 | |
| SCHEMBL4242299 | 0.79 | GABBR2 (0.41) | GABBR2GABBR1DAOKMT2AGSK3B | |
| SCHEMBL1520622 | 0.79 | ALOX5 (0.46) | GABBR2GABBR1DAOCYP2C9CYP2C19 | |
| SCHEMBL31173399 | 0.77 | GABBR2 (0.46) | GABBR2GABBR1F2DAOCYP2D6 | |
| SCHEMBL14847521 | 0.77 | GABBR2 (0.46) | GABBR2GABBR1F2DAOCYP2D6 | |
| SCHEMBL1052288 | 0.76 | GABBR2 (0.71) | GABBR2GABBR1F2DAOCYP2C9 | |
| Hydrochloric Acid SCHEMBL14829990 | 0.76 | GABBR2 (0.45) | GABBR2GABBR1F2DAOCYP2D6 | |
| SCHEMBL5212433 | 0.76 | GABBR2 (0.53) | GABBR2GABBR1F2DAOCYP2C9 | |
| Hydrochloric Acid SCHEMBL14829989 | 0.76 | GABBR2 (0.45) | GABBR2GABBR1F2DAOCYP2D6 |
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-101137650-A | 2- [ isoquinoline-S-carbonyl ] amino ] -propionic acid derivatives as inhibitors of factors XI and IX for the treatment of thrombosis | TRANSTECH PHARMA INC (US) | 2008-03-05 | — | — | CN | disclosed |