Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.54 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28833063 | 0.80 | CYP2A6 (0.56) | CYP2A6ALDH1A1KDM4ERAB9AHSD17B10 | |
| SCHEMBL28215599 | 0.78 | CYP2A6 (0.46) | CYP2A6PTGER4ALDH1A1KDM4EPTGS2 | |
| SCHEMBL28088869 | 0.76 | CYP2A6 (0.51) | CYP2A6PTGER4ALDH1A1KDM4EPTGS2 | |
| SCHEMBL31300670 | 0.75 | HSD17B10 (0.62) | CYP2A6ALDH1A1KDM4ERAB9AHSD17B10 | |
| SCHEMBL28088871 | 0.72 | ALDH1A1 (0.49) | CYP2A6ALDH1A1KDM4EALDH1A3ALDH3A1 | |
| SCHEMBL31711447 | 0.71 | CYP2A6 (0.53) | CYP2A6PTGER4ALDH1A1KDM4EPTGS2 | |
| SCHEMBL2713434 | 0.71 | CYP2A6 (0.53) | CYP2A6PTGER4ALDH1A1KDM4EPTGS2 | |
| SCHEMBL29569100 | 0.70 | CYP2A6 (1.00) | CYP2A6PTGER4 | |
| SCHEMBL1125942 | 0.70 | CYP2A6 (1.00) | CYP2A6PTGER4 | |
| SCHEMBL28143548 | 0.70 | KDM4E (0.49) | ALDH1A1KDM4EHSD17B10TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-104039323-A | Antibacterial compounds and methods of use | PTC THERAPEUTICS INC | 2014-09-10 | — | — | CN | disclosed |