Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL1533865 | 0.93 | EGFR (0.56) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Isoquinoline SCHEMBL7076555 | 0.92 | EGFR (0.39) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Isoquinoline SCHEMBL5027436 | 0.90 | EGFR (0.53) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Isoquinoline SCHEMBL1505711 | 0.90 | ALDH1A1 (0.68) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Isoquinoline SCHEMBL27938240 | 0.90 | ALDH1A1 (0.68) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Quinoline SCHEMBL8074027 | 0.88 | ALDH1A1 (0.71) | ALDH1A1EGFRNPC1RAB9APOLB | |
| Quinoline SCHEMBL28191335 | 0.88 | ALDH1A1 (0.71) | ALDH1A1EGFRNPC1RAB9APOLB | |
| Isoquinoline SCHEMBL902539 | 0.86 | ALDH1A1 (0.63) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Isoquinoline SCHEMBL27889185 | 0.82 | EGFR (0.67) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA | |
| Dipyridyl SCHEMBL27975319 | 0.82 | ALDH1A1 (0.57) | ALDH1A1EGFRCYP2A6PDGFRBPDGFRA |
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-2005121125-A1 | ETHER-LINKED HETEROARYL COMPOUNDS | PFIZER INC. (US) | 2005-12-22 | — | — | WO | disclosed |