Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8918492 | 0.91 | FAAH (0.48) | CYP1A2CYP3A4CYP2C9GAALMNA | |
| SCHEMBL8919580 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9GAALMNA | |
| SCHEMBL8918394 | 0.81 | THRB (0.52) | CYP1A2CYP3A4GAAKMT2AMAPT | |
| SCHEMBL8919867 | 0.81 | THRB (0.52) | CYP1A2CYP3A4GAAKMT2AMAPT | |
| SCHEMBL8918390 | 0.81 | THRB (0.52) | CYP1A2CYP3A4GAAKMT2AMAPT | |
| SCHEMBL12409531 | 0.76 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9GAALMNA | |
| SCHEMBL22109517 | 0.76 | PKM (0.52) | FAAHKMT2APKMPOLBMAPT | |
| SCHEMBL13196041 | 0.74 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C9GAALMNA | |
| SCHEMBL10398808 | 0.73 | TRPV1 (0.62) | CYP1A2CYP3A4CYP2C9GAAEPHX2 | |
| SCHEMBL10398809 | 0.73 | TRPV1 (0.62) | CYP1A2CYP3A4CYP2C9GAAEPHX2 |
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-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |