Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ICMT | O60725 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11217601 | 0.87 | NPC1 (0.49) | TP53SMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL10632664 | 0.86 | APEX1 (0.55) | TP53CYP3A4SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL11218169 | 0.85 | LMNA (0.46) | TP53CYP3A4SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL15741849 | 0.84 | MTNR1A (0.57) | SMN1; SMN2KDM4ELMNAL3MBTL1MAPT | |
| SCHEMBL10150451 | 0.80 | ALDH1A1 (0.44) | TP53CYP3A4SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL11212809 | 0.76 | ALDH1A1 (0.46) | SMN1; SMN2ALDH1A1KDM4ELMNADDB1 | |
| SCHEMBL11212235 | 0.76 | TP53 (0.55) | TP53CYP3A4SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10885740 | 0.75 | ALDH1A1 (0.58) | SMN1; SMN2ALDH1A1KDM4ERXRARXRB | |
| SCHEMBL8597033 | 0.75 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1LMNAMAPK1L3MBTL1 | |
| SCHEMBL9487844 | 0.75 | TP53 (0.57) | TP53CYP3A4SMN1; SMN2ALDH1A1KDM4E |
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-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |