Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL11503014 | 0.98 | LSS (0.44) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL1469972 | 0.94 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL1992737 | 0.94 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL1154284 | 0.91 | EPHX1 (0.48) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL4386493 | 0.91 | EPHX1 (0.48) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL2236338 | 0.91 | EPHX1 (0.48) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL4896968 | 0.91 | EPHX1 (0.48) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL4191389 | 0.91 | EPHX1 (0.48) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL4378447 | 0.91 | EPHX1 (0.48) | CYP1A2HTTLMNAMAPK1LSS | |
| SCHEMBL19722204 | 0.91 | CYP1A2 (0.48) | CYP1A2HTTLMNAMAPK1LSS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9273342-B2 | Methods and systems for evaluating and predicting the reactivity of monooxygenase enzymes | UNIVERSITY OF ROCHESTER (US) | 2016-03-01 | — | — | US | disclosed |
| US-20140038850-A1 | METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES | UNIVERSITY OF ROCHESTER (US) | 2014-02-06 | — | — | US | disclosed |
| WO-2012109586-A2 | METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES | UNIVERSITY OF ROCHESTER (US) | 2012-08-16 | — | — | WO | disclosed |