Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PREP | P48147 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL6878130 | 0.90 | KMT2A (0.46) | HTTALDH1A1GAADPP4DPP7 | |
| SCHEMBL6876989 | 0.89 | CTSS (0.47) | CTSSCA1 | |
| SCHEMBL6877845 | 0.89 | CTSS (0.47) | LMNAALDH1A1GAAKDM4ECTSS | |
| SCHEMBL6879156 | 0.87 | CTSS (0.34) | SMN1; SMN2LMNAKDM4ECTSSALOX15 | |
| SCHEMBL6876986 | 0.86 | CTSS (0.43) | SMN1; SMN2CTSSNPC1RAB9A | |
| SCHEMBL6879857 | 0.86 | CTSS (0.43) | SMN1; SMN2LMNAALDH1A1GAACTSS | |
| SCHEMBL6879026 | 0.85 | CTSS (0.47) | SMN1; SMN2LMNAHTTALDH1A1KDM4E | |
| SCHEMBL6878320 | 0.84 | CCR1 (0.40) | SMN1; SMN2GAACTSSNPC1KMT2A | |
| SCHEMBL6878825 | 0.83 | CTSS (0.46) | SMN1; SMN2LMNAHTTALDH1A1KDM4E | |
| SCHEMBL6880100 | 0.82 | CTSS (0.47) | DPP4CTSSNPC1RAB9A |
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 |