Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11241585 | 0.80 | CYP2D6 (0.55) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL534241 | 0.80 | CYP2D6 (0.55) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL10412651 | 0.78 | CYP2D6 (0.54) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL11082604 | 0.78 | CYP2D6 (0.54) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL6153842 | 0.77 | NPSR1 (0.34) | ALDH1A1GAAKDM4ENPSR1HPGD | |
| SCHEMBL19777580 | 0.76 | CYP2D6 (0.42) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL28358461 | 0.76 | CYP2D6 (0.42) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL4058485 | 0.76 | CA1 (0.44) | ALDH1A1GAAKDM4ECA1CA2 | |
| SCHEMBL19259363 | 0.75 | ALDH1A1 (0.49) | ALDH1A1GAAHPGDTSHRKMT2A | |
| SCHEMBL6475425 | 0.75 | MCL1 (0.41) | ALDH1A1GAAKDM4ECA1CA2 |
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-4033751-A | 2-(Substituted-phenyl)-hexahydro- and tetrahydro-3-(2H)-cinnolinones as herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-07-05 | — | — | US | disclosed |