Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | HK1 | P19367 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9562328 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2D6RECQLCHRNA7ALDH1A1 | |
| SCHEMBL8009779 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2D6RECQLCHRNA7ALDH1A1 | |
| SCHEMBL104748 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP2D6RECQLALDH1A1LTA4H | |
| SCHEMBL17198522 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP2D6RECQLALDH1A1LTA4H | |
| SCHEMBL8588407 | 0.73 | LTA4H (0.47) | CYP1A2CYP2D6RECQLCHRNA7ALDH1A1 | |
| SCHEMBL4051277 | 0.72 | CYP1A2 (0.58) | CYP1A2CYP2D6RECQLALDH1A1LTA4H | |
| SCHEMBL19334562 | 0.72 | CYP1A2 (0.58) | CYP1A2CYP2D6RECQLALDH1A1LTA4H | |
| SCHEMBL21810992 | 0.72 | CYP1A2 (0.58) | CYP1A2CYP2D6RECQLALDH1A1LTA4H | |
| SCHEMBL14019404 | 0.72 | CYP1A2 (0.58) | CYP1A2CYP2D6RECQLALDH1A1LTA4H | |
| SCHEMBL2475947 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0535227-A1 | N-SUBSTITUTED HETEROCYCLIC AMIDINE DERIVATIVE | NIPPON SODA CO., LTD. (JP) | 1993-04-07 | — | — | EP | disclosed |