Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27537154 | 1.00 | KDM4E (0.52) | KDM4EALDH1A1SMN1; SMN2TTRDPP4 | |
| SCHEMBL27519791 | 0.86 | DRD2 (0.49) | KDM4EALDH1A1SMN1; SMN2TTRPTGS2 | |
| SCHEMBL1895094 | 0.84 | MAPT (0.53) | KDM4EALDH1A1SMN1; SMN2TTRDPP4 | |
| SCHEMBL1895095 | 0.84 | MAPT (0.53) | KDM4EALDH1A1SMN1; SMN2TTRDPP4 | |
| SCHEMBL6022915 | 0.83 | KDM4E (0.57) | KDM4EALDH1A1SMN1; SMN2PTGS2MAOB | |
| SCHEMBL6022919 | 0.83 | KDM4E (0.57) | KDM4EALDH1A1SMN1; SMN2PTGS2MAOB | |
| SCHEMBL2390189 | 0.82 | TTR (0.52) | TTRDPP4CYP3A4PTGS2CA12 | |
| SCHEMBL5209596 | 0.81 | TTR (0.51) | KDM4EALDH1A1SMN1; SMN2TTRDPP4 | |
| SCHEMBL2389633 | 0.81 | CYP3A4 (0.48) | TTRDPP4CYP3A4PTGS2CA12 | |
| SCHEMBL9643718 | 0.81 | ALOX5 (0.62) | KDM4EALDH1A1SMN1; SMN2TTRDPP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE42700-E1 | Induction of apoptosis in cancer cells | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2011-09-13 | — | — | US | disclosed |
| CN-1282243-A | Pharmaceutical composition containing anilide derivative for antagonizing CCR5 | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-01-31 | — | — | CN | disclosed |