Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1829180 | 0.78 | CALM1 (0.52) | DPP7POLB | |
| SCHEMBL6586984 | 0.78 | CALM1 (0.52) | DPP7POLB | |
| SCHEMBL2051544 | 0.78 | CALM1 (0.52) | DPP7POLB | |
| SCHEMBL7733142 | 0.76 | CYP17A1 (0.47) | LOXL2POLBGLAALDH1A1SMN1; SMN2 | |
| SCHEMBL4918208 | 0.76 | IDO1 (0.42) | IDO1TAAR1POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL7741188 | 0.76 | CYP17A1 (0.47) | LOXL2POLBGLAALDH1A1SMN1; SMN2 | |
| SCHEMBL7738608 | 0.76 | CYP17A1 (0.47) | LOXL2POLBGLAALDH1A1SMN1; SMN2 | |
| SCHEMBL7739173 | 0.76 | CYP17A1 (0.47) | LOXL2POLBGLAALDH1A1SMN1; SMN2 | |
| SCHEMBL7733513 | 0.76 | CYP17A1 (0.47) | LOXL2POLBGLAALDH1A1SMN1; SMN2 | |
| SCHEMBL1468357 | 0.76 | IDO1 (0.58) | IDO1LOXL2TAAR1ALDH1A1AGXT |
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-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |