Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | LIPE | Q05469 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL746785 | 0.88 | TP53 (0.51) | MAPTALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL744226 | 0.83 | LIPE (0.60) | METAP2LIPE | |
| SCHEMBL13075648 | 0.82 | TRPV1 (0.52) | ALDH1A1KMT2ATRPV1POLBCA12 | |
| SCHEMBL759281 | 0.79 | EGLN1 (0.53) | METAP2LIPE | |
| SCHEMBL743533 | 0.76 | EGLN1 (0.50) | KMT2ANPC1RAB9ASMN1; SMN2LIPE | |
| SCHEMBL746859 | 0.76 | ITGB3 (0.55) | ALDH1A1TRPV1METAP2 | |
| SCHEMBL746839 | 0.76 | METAP2 (0.58) | ALDH1A1METAP2TP53LIPE | |
| SCHEMBL4072091 | 0.75 | ITGB3 (0.51) | METAP2LIPE | |
| SCHEMBL745632 | 0.74 | EGLN1 (0.51) | LIPE | |
| SCHEMBL1589695 | 0.74 | BCHE (0.50) | MAPTKMT2AMEN1NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | claimed |
| US-8329904-B2 | Azacyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |
| US-8329904-B2 | Azacyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |