Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.50 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11549689 | 1.00 | CYP1A2 (0.62) | CYP1A2ALDH1A1PKMHTTTSHR | |
| SCHEMBL9508495 | 0.88 | EGFR (0.68) | CYP1A2ALDH1A1PKMTDP1EGFR | |
| SCHEMBL9508488 | 0.88 | EGFR (0.68) | CYP1A2ALDH1A1PKMTDP1EGFR | |
| SCHEMBL9124369 | 0.83 | EGFR (0.58) | CYP1A2ALDH1A1TDP1GAAEGFR | |
| SCHEMBL11549417 | 0.83 | NQO1 (0.54) | CYP1A2ALDH1A1HTTTDP1GAA | |
| SCHEMBL11549421 | 0.83 | NQO1 (0.54) | CYP1A2ALDH1A1HTTTDP1GAA | |
| SCHEMBL9124372 | 0.83 | EGFR (0.58) | CYP1A2ALDH1A1TDP1GAAEGFR | |
| SCHEMBL8649519 | 0.82 | CYP1A2 (0.56) | CYP1A2ALDH1A1PKMHTTTSHR | |
| SCHEMBL8103856 | 0.80 | EGFR (0.76) | CYP1A2ALDH1A1PKMHTTTSHR | |
| SCHEMBL25916732 | 0.79 | ALDH1A1 (0.46) | CYP1A2ALDH1A1PKMHTTSMN1; SMN2 |
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-4172090-A | FROM ISOAZOLE AND BENZALDEHYDE | BASF AKTIENGESELLSCHAFT (DE) | 1979-10-23 | — | — | US | disclosed |