Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29164460 | 0.82 | CYP2A6 (0.56) | CYP2A6CYP1A2DHFRALDH1A1CA12 | |
| SCHEMBL3962186 | 0.80 | CTSD (0.41) | CYP2A6CYP1A2DHFRALDH1A1HSD17B10 | |
| SCHEMBL7951078 | 0.80 | CYP1A2 (0.57) | CYP2A6CYP1A2DHFRALDH1A1CA12 | |
| SCHEMBL17500079 | 0.79 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1CA12CA1 | |
| SCHEMBL21883719 | 0.79 | DHFR (0.44) | CYP2A6CYP1A2DHFRALDH1A1CA12 | |
| SCHEMBL30978224 | 0.79 | CA12 (0.49) | CYP2A6CYP1A2DHFRALDH1A1CA12 | |
| SCHEMBL22517355 | 0.79 | CA12 (0.49) | CYP2A6CYP1A2DHFRALDH1A1CA12 | |
| SCHEMBL20609436 | 0.78 | CYP2A6 (0.55) | CYP2A6CYP1A2DHFRALDH1A1CA12 | |
| SCHEMBL3789931 | 0.78 | ALDH1A1 (0.52) | CYP2A6CYP1A2ALDH1A1MAOBHSD17B10 | |
| SCHEMBL1011515 | 0.77 | MAOB (0.50) | CYP2A6CYP1A2DHFRALDH1A1CA12 |
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-2007023618-A1 | HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-03-01 | — | — | WO | disclosed |