Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | ATR | Q13535 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.48 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13495669 | 0.80 | PTGS2 (0.51) | POLB | |
| SCHEMBL13495638 | 0.79 | PTGS2 (0.47) | KMT2APOLBGAA | |
| SCHEMBL13495643 | 0.78 | ALDH1A1 (0.62) | TSHRSMN1; SMN2KMT2AHTTKDM4E | |
| SCHEMBL13495634 | 0.77 | POLB (0.44) | SMN1; SMN2CHEK1ATRPDCD1ATRIP | |
| SCHEMBL13495644 | 0.77 | HTT (0.48) | SMN1; SMN2CHEK1ATRPDCD1ATRIP | |
| SCHEMBL13495582 | 0.76 | PIK3CB (0.48) | TSHRSMN1; SMN2KMT2AHTTKDM4E | |
| SCHEMBL13495635 | 0.74 | ALDH1A1 (0.43) | TSHRKMT2AKDM4EPOLBALDH1A1 | |
| SCHEMBL13495671 | 0.74 | POLB (0.42) | TSHRSMN1; SMN2CHEK1ATRPDCD1 | |
| SCHEMBL2769910 | 0.74 | POLB (0.73) | TSHRSMN1; SMN2KMT2APOLBPKM | |
| SCHEMBL13495748 | 0.72 | PIK3CA (0.54) | HTTPOLBALDH1A1PIK3CAMTOR |
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-2010012745-A2 | BENZIMIDAZOLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-04 | — | — | WO | disclosed |