Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | C1S | P09871 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5856096 | 0.90 | SRC (0.58) | PARP1SRCIDO1TDO2ALDH1A1 | |
| SCHEMBL29389075 | 0.90 | PARP1 (0.53) | PARP1IDO1TDO2ALDH1A1CTSA | |
| SCHEMBL11215798 | 0.84 | SRC (0.45) | PARP1SRCIDO1TDO2ALDH1A1 | |
| SCHEMBL20930558 | 0.80 | CYP2D6 (0.60) | PARP1SRCIDO1TDO2ALDH1A1 | |
| SCHEMBL3649122 | 0.79 | PARP1 (0.50) | PARP1IDO1TDO2ALDH1A1CTSA | |
| SCHEMBL3618233 | 0.79 | HSD17B10 (0.50) | PARP1IDO1TDO2ALDH1A1CTSA | |
| SCHEMBL30559596 | 0.79 | HSD17B10 (0.50) | PARP1IDO1TDO2ALDH1A1CTSA | |
| SCHEMBL2927725 | 0.79 | HSD17B10 (0.50) | PARP1IDO1TDO2ALDH1A1CTSA | |
| SCHEMBL30559593 | 0.79 | HSD17B10 (0.50) | PARP1IDO1TDO2ALDH1A1CTSA | |
| SCHEMBL11215585 | 0.79 | KYNU (0.54) | PARP1SRCALDH1A1NFKB1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |