Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3367032 | 1.00 | CYP1A2 (0.43) | CYP1A2METAP1SHBGSIGMAR1EPHX1 | |
| SCHEMBL2989483 | 1.00 | CYP1A2 (0.43) | CYP1A2METAP1SHBGSIGMAR1EPHX1 | |
| SCHEMBL30835534 | 0.93 | CYP1A2 (0.34) | CYP1A2METAP1SHBG | |
| SCHEMBL1554342 | 0.83 | MAPT (0.32) | — | |
| SCHEMBL8189675 | 0.81 | SIGMAR1 (0.46) | CYP1A2SIGMAR1EPHX1 | |
| SCHEMBL6823996 | 0.79 | CYP1A2 (0.33) | CYP1A2METAP1SHBGEPHX1 | |
| SCHEMBL2997251 | 0.79 | ALOX5 (0.34) | SHBG | |
| SCHEMBL1524668 | 0.78 | CYP1A2 (0.48) | CYP1A2METAP1SIGMAR1METAP2 | |
| SCHEMBL9384040 | 0.78 | CYP1A2 (0.48) | CYP1A2METAP1SIGMAR1METAP2 | |
| SCHEMBL436792 | 0.78 | CYP1A2 (0.48) | CYP1A2METAP1SIGMAR1METAP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |